N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide

C12H21N3O2S — CID 62961449

IUPACN-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2CCCC2C#N)C1
InChIInChI=1S/C12H21N3O2S/c1-10-4-3-7-15(9-10)18(16,17)14-12-6-2-5-11(12)8-13/h10-12,14H,2-7,9H2,1H3
InChIKeyBCZULEYVAUSXLV-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.24
Rot. Bonds3

About N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide

N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 62961449) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide
PubChem CID62961449
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2CCCC2C#N)C1
InChIInChI=1S/C12H21N3O2S/c1-10-4-3-7-15(9-10)18(16,17)14-12-6-2-5-11(12)8-13/h10-12,14H,2-7,9H2,1H3
InChIKeyBCZULEYVAUSXLV-UHFFFAOYSA-N
XLogP1.24
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide (CID 62961449) is N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NC2CCCC2C#N)C1.
What is the InChIKey of N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is BCZULEYVAUSXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10-4-3-7-15(9-10)18(16,17)14-12-6-2-5-11(12)8-13/h10-12,14H,2-7,9H2,1H3.
What are the key properties of N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide?
N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 62961449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).