3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide

C11H16N2O2S2 — CID 71997176

IUPAC3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(CSc2ccccc2)C1
InChIInChI=1S/C11H16N2O2S2/c12-17(14,15)13-7-6-10(8-13)9-16-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,12,14,15)
InChIKeyUOPKWVRWNCSNDM-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.30
Rot. Bonds4

About 3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide

3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide (PubChem CID 71997176) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide
PubChem CID71997176
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(CSc2ccccc2)C1
InChIInChI=1S/C11H16N2O2S2/c12-17(14,15)13-7-6-10(8-13)9-16-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,12,14,15)
InChIKeyUOPKWVRWNCSNDM-UHFFFAOYSA-N
XLogP1.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide (CID 71997176) is 3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCC(CSc2ccccc2)C1.
What is the InChIKey of 3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide?
The InChIKey is UOPKWVRWNCSNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c12-17(14,15)13-7-6-10(8-13)9-16-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,12,14,15).
What are the key properties of 3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide?
3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide has a molecular weight of 272.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfanylmethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 71997176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).