(2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol

C14H16N2O3S2 — CID 97391922

IUPAC(2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccs1)N1CC[C@@H](O)[C@@H]1Cc1ccncc1
InChIInChI=1S/C14H16N2O3S2/c17-13-5-8-16(21(18,19)14-2-1-9-20-14)12(13)10-11-3-6-15-7-4-11/h1-4,6-7,9,12-13,17H,5,8,10H2/t12-,13+/m0/s1
InChIKeyKMNKABIWRKWGQK-QWHCGFSZSA-N
MW324.43 g/mol
LogP1.51
Rot. Bonds4

About (2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol

(2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol (PubChem CID 97391922) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is (2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
PubChem CID97391922
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name(2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccs1)N1CC[C@@H](O)[C@@H]1Cc1ccncc1
InChIInChI=1S/C14H16N2O3S2/c17-13-5-8-16(21(18,19)14-2-1-9-20-14)12(13)10-11-3-6-15-7-4-11/h1-4,6-7,9,12-13,17H,5,8,10H2/t12-,13+/m0/s1
InChIKeyKMNKABIWRKWGQK-QWHCGFSZSA-N
XLogP1.51
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol 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 (2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol (CID 97391922) is (2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol is O=S(=O)(c1cccs1)N1CC[C@@H](O)[C@@H]1Cc1ccncc1.
What is the InChIKey of (2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
The InChIKey is KMNKABIWRKWGQK-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c17-13-5-8-16(21(18,19)14-2-1-9-20-14)12(13)10-11-3-6-15-7-4-11/h1-4,6-7,9,12-13,17H,5,8,10H2/t12-,13+/m0/s1.
What are the key properties of (2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
(2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol has a molecular weight of 324.43 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(pyridin-4-ylmethyl)-1-thiophen-2-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 97391922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).