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CID 42149605

PubChem CID
42149605
Structure
CID 42149605_small.png
Molecular Formula
Status
Non-live
Molecular Weight
209.33 g/mol
Dates
  • Create:
    2009-05-30

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 42149605.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(dipropylsulfamoyl)ethylazanium

2.1.2 InChI

InChI=1S/C8H20N2O2S/c1-3-6-10(7-4-2)13(11,12)8-5-9/h3-9H2,1-2H3/p+1

2.1.3 InChIKey

GGCOWROXKHZFSU-UHFFFAOYSA-O

2.1.4 SMILES

CCCN(CCC)S(=O)(=O)CC[NH3+]

2.2 Molecular Formula

C8H21N2O2S+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
209.33 g/mol
Property Name
XLogP3-AA
Property Value
0.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
209.13237409 g/mol
Property Name
Monoisotopic Mass
Property Value
209.13237409 g/mol
Property Name
Topological Polar Surface Area
Property Value
73.4 A^2
Property Name
Heavy Atom Count
Property Value
13
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
203
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS