cyclopropylmethanesulfonamide

C4H9NO2S — CID 22149151

IUPACcyclopropylmethanesulfonamide
SMILESNS(=O)(=O)CC1CC1
InChIInChI=1S/C4H9NO2S/c5-8(6,7)3-4-1-2-4/h4H,1-3H2,(H2,5,6,7)
InChIKeyGTPINKYWKTZDBU-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.32
Rot. Bonds2

About cyclopropylmethanesulfonamide

cyclopropylmethanesulfonamide (PubChem CID 22149151) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is cyclopropylmethanesulfonamide.

Molecular Properties

Compound Namecyclopropylmethanesulfonamide
PubChem CID22149151
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Namecyclopropylmethanesulfonamide
SMILESNS(=O)(=O)CC1CC1
InChIInChI=1S/C4H9NO2S/c5-8(6,7)3-4-1-2-4/h4H,1-3H2,(H2,5,6,7)
InChIKeyGTPINKYWKTZDBU-UHFFFAOYSA-N
XLogP-0.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethanesulfonamide?
The IUPAC name of cyclopropylmethanesulfonamide (CID 22149151) is cyclopropylmethanesulfonamide.
What is the SMILES notation for cyclopropylmethanesulfonamide?
The canonical SMILES for cyclopropylmethanesulfonamide is NS(=O)(=O)CC1CC1.
What is the InChIKey of cyclopropylmethanesulfonamide?
The InChIKey is GTPINKYWKTZDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c5-8(6,7)3-4-1-2-4/h4H,1-3H2,(H2,5,6,7).
What are the key properties of cyclopropylmethanesulfonamide?
cyclopropylmethanesulfonamide has a molecular weight of 135.19 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanesulfonamide is sourced from PubChem (CID 22149151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).