N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide

C12H21N3O2S — CID 60728167

IUPACN-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C12H21N3O2S/c1-11-4-8-15(9-5-11)18(16,17)14-12(10-13)6-2-3-7-12/h11,14H,2-9H2,1H3
InChIKeyULYJKQLHOXNKQO-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.39
Rot. Bonds3

About N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide

N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 60728167) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide
PubChem CID60728167
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2(C#N)CCCC2)CC1
InChIInChI=1S/C12H21N3O2S/c1-11-4-8-15(9-5-11)18(16,17)14-12(10-13)6-2-3-7-12/h11,14H,2-9H2,1H3
InChIKeyULYJKQLHOXNKQO-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide (CID 60728167) is N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC2(C#N)CCCC2)CC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is ULYJKQLHOXNKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-11-4-8-15(9-5-11)18(16,17)14-12(10-13)6-2-3-7-12/h11,14H,2-9H2,1H3.
What are the key properties of N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide?
N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 60728167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).