N-pyrrolidin-3-ylmethanesulfonamide

C5H12N2O2S — CID 22352625

IUPACN-pyrrolidin-3-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1CCNC1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)7-5-2-3-6-4-5/h5-7H,2-4H2,1H3
InChIKeyNTNHDTQXUCWRCJ-UHFFFAOYSA-N
MW164.23 g/mol
LogP-1.10
Rot. Bonds2

About N-pyrrolidin-3-ylmethanesulfonamide

N-pyrrolidin-3-ylmethanesulfonamide (PubChem CID 22352625) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is N-pyrrolidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylmethanesulfonamide
PubChem CID22352625
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC NameN-pyrrolidin-3-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1CCNC1
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)7-5-2-3-6-4-5/h5-7H,2-4H2,1H3
InChIKeyNTNHDTQXUCWRCJ-UHFFFAOYSA-N
XLogP-1.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-pyrrolidin-3-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylmethanesulfonamide?
The IUPAC name of N-pyrrolidin-3-ylmethanesulfonamide (CID 22352625) is N-pyrrolidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-pyrrolidin-3-ylmethanesulfonamide?
The canonical SMILES for N-pyrrolidin-3-ylmethanesulfonamide is CS(=O)(=O)NC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-ylmethanesulfonamide?
The InChIKey is NTNHDTQXUCWRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-10(8,9)7-5-2-3-6-4-5/h5-7H,2-4H2,1H3.
What are the key properties of N-pyrrolidin-3-ylmethanesulfonamide?
N-pyrrolidin-3-ylmethanesulfonamide has a molecular weight of 164.23 g/mol, XLogP of -1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylmethanesulfonamide is sourced from PubChem (CID 22352625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).