3-pyrrolidin-1-ylsulfonylpyridine

C9H12N2O2S — CID 13063498

IUPAC3-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCCC1
InChIInChI=1S/C9H12N2O2S/c12-14(13,11-6-1-2-7-11)9-4-3-5-10-8-9/h3-5,8H,1-2,6-7H2
InChIKeyMXJUPPYEPZUGLP-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.87
Rot. Bonds2

About 3-pyrrolidin-1-ylsulfonylpyridine

3-pyrrolidin-1-ylsulfonylpyridine (PubChem CID 13063498) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name3-pyrrolidin-1-ylsulfonylpyridine
PubChem CID13063498
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCCC1
InChIInChI=1S/C9H12N2O2S/c12-14(13,11-6-1-2-7-11)9-4-3-5-10-8-9/h3-5,8H,1-2,6-7H2
InChIKeyMXJUPPYEPZUGLP-UHFFFAOYSA-N
XLogP0.87
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-pyrrolidin-1-ylsulfonylpyridine 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 3-pyrrolidin-1-ylsulfonylpyridine?
The IUPAC name of 3-pyrrolidin-1-ylsulfonylpyridine (CID 13063498) is 3-pyrrolidin-1-ylsulfonylpyridine.
What is the SMILES notation for 3-pyrrolidin-1-ylsulfonylpyridine?
The canonical SMILES for 3-pyrrolidin-1-ylsulfonylpyridine is O=S(=O)(c1cccnc1)N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylsulfonylpyridine?
The InChIKey is MXJUPPYEPZUGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-14(13,11-6-1-2-7-11)9-4-3-5-10-8-9/h3-5,8H,1-2,6-7H2.
What are the key properties of 3-pyrrolidin-1-ylsulfonylpyridine?
3-pyrrolidin-1-ylsulfonylpyridine has a molecular weight of 212.27 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylsulfonylpyridine is sourced from PubChem (CID 13063498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).