N-cyclopropylmethanesulfonamide

C4H9NO2S — CID 5112945

IUPACN-cyclopropylmethanesulfonamide
SMILESCS(=O)(=O)NC1CC1
InChIInChI=1S/C4H9NO2S/c1-8(6,7)5-4-2-3-4/h4-5H,2-3H2,1H3
InChIKeyPOEOXZQLWUIFQW-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.30
Rot. Bonds2

About N-cyclopropylmethanesulfonamide

N-cyclopropylmethanesulfonamide (PubChem CID 5112945) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is N-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropylmethanesulfonamide
PubChem CID5112945
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC NameN-cyclopropylmethanesulfonamide
SMILESCS(=O)(=O)NC1CC1
InChIInChI=1S/C4H9NO2S/c1-8(6,7)5-4-2-3-4/h4-5H,2-3H2,1H3
InChIKeyPOEOXZQLWUIFQW-UHFFFAOYSA-N
XLogP-0.30
TPSA46.17 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 ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylmethanesulfonamide?
The IUPAC name of N-cyclopropylmethanesulfonamide (CID 5112945) is N-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-cyclopropylmethanesulfonamide?
The canonical SMILES for N-cyclopropylmethanesulfonamide is CS(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropylmethanesulfonamide?
The InChIKey is POEOXZQLWUIFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c1-8(6,7)5-4-2-3-4/h4-5H,2-3H2,1H3.
What are the key properties of N-cyclopropylmethanesulfonamide?
N-cyclopropylmethanesulfonamide has a molecular weight of 135.19 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylmethanesulfonamide is sourced from PubChem (CID 5112945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).