N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide

C15H20N2O2S — CID 11833227

IUPACN-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1CCC[C@H]1c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2S/c1-11(2)20(18,19)17-15-5-3-4-14(15)13-8-6-12(10-16)7-9-13/h6-9,11,14-15,17H,3-5H2,1-2H3/t14-,15-/m0/s1
InChIKeyWFOOYVYAHHNOAW-GJZGRUSLSA-N
MW292.40 g/mol
LogP2.52
Rot. Bonds4

About N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide

N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide (PubChem CID 11833227) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide
PubChem CID11833227
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N[C@H]1CCC[C@H]1c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2S/c1-11(2)20(18,19)17-15-5-3-4-14(15)13-8-6-12(10-16)7-9-13/h6-9,11,14-15,17H,3-5H2,1-2H3/t14-,15-/m0/s1
InChIKeyWFOOYVYAHHNOAW-GJZGRUSLSA-N
XLogP2.52
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide?
The IUPAC name of N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide (CID 11833227) is N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)N[C@H]1CCC[C@H]1c1ccc(C#N)cc1.
What is the InChIKey of N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide?
The InChIKey is WFOOYVYAHHNOAW-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11(2)20(18,19)17-15-5-3-4-14(15)13-8-6-12(10-16)7-9-13/h6-9,11,14-15,17H,3-5H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide?
N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(4-cyanophenyl)cyclopentyl]propane-2-sulfonamide is sourced from PubChem (CID 11833227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).