(3S)-1-benzylpyrrolidine-3-sulfonamide

C11H16N2O2S — CID 51723271

IUPAC(3S)-1-benzylpyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C11H16N2O2S/c12-16(14,15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,12,14,15)/t11-/m0/s1
InChIKeyWJKVORFSSQRLKC-NSHDSACASA-N
MW240.33 g/mol
LogP0.55
Rot. Bonds3

About (3S)-1-benzylpyrrolidine-3-sulfonamide

(3S)-1-benzylpyrrolidine-3-sulfonamide (PubChem CID 51723271) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (3S)-1-benzylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name(3S)-1-benzylpyrrolidine-3-sulfonamide
PubChem CID51723271
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(3S)-1-benzylpyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C11H16N2O2S/c12-16(14,15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,12,14,15)/t11-/m0/s1
InChIKeyWJKVORFSSQRLKC-NSHDSACASA-N
XLogP0.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzylpyrrolidine-3-sulfonamide?
The IUPAC name of (3S)-1-benzylpyrrolidine-3-sulfonamide (CID 51723271) is (3S)-1-benzylpyrrolidine-3-sulfonamide.
What is the SMILES notation for (3S)-1-benzylpyrrolidine-3-sulfonamide?
The canonical SMILES for (3S)-1-benzylpyrrolidine-3-sulfonamide is NS(=O)(=O)[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-benzylpyrrolidine-3-sulfonamide?
The InChIKey is WJKVORFSSQRLKC-NSHDSACASA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-16(14,15)11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,12,14,15)/t11-/m0/s1.
What are the key properties of (3S)-1-benzylpyrrolidine-3-sulfonamide?
(3S)-1-benzylpyrrolidine-3-sulfonamide has a molecular weight of 240.33 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 51723271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).