(2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol

C15H17NO3S2 — CID 97470087

IUPAC(2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccs1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H17NO3S2/c17-14-8-9-16(21(18,19)15-7-4-10-20-15)13(14)11-12-5-2-1-3-6-12/h1-7,10,13-14,17H,8-9,11H2/t13-,14+/m0/s1
InChIKeyRBSSLZCQFJEMTD-UONOGXRCSA-N
MW323.44 g/mol
LogP2.11
Rot. Bonds4

About (2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol

(2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol (PubChem CID 97470087) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
PubChem CID97470087
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name(2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol
SMILESO=S(=O)(c1cccs1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H17NO3S2/c17-14-8-9-16(21(18,19)15-7-4-10-20-15)13(14)11-12-5-2-1-3-6-12/h1-7,10,13-14,17H,8-9,11H2/t13-,14+/m0/s1
InChIKeyRBSSLZCQFJEMTD-UONOGXRCSA-N
XLogP2.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-2-benzyl-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-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
The IUPAC name of (2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol (CID 97470087) is (2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol is O=S(=O)(c1cccs1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
The InChIKey is RBSSLZCQFJEMTD-UONOGXRCSA-N. The full InChI is InChI=1S/C15H17NO3S2/c17-14-8-9-16(21(18,19)15-7-4-10-20-15)13(14)11-12-5-2-1-3-6-12/h1-7,10,13-14,17H,8-9,11H2/t13-,14+/m0/s1.
What are the key properties of (2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol?
(2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol has a molecular weight of 323.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-1-thiophen-2-ylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 97470087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).