N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide

C15H27N3O2S — CID 61133607

IUPACN-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2(C#N)CCCCCCC2)C1
InChIInChI=1S/C15H27N3O2S/c1-14-8-7-11-18(12-14)21(19,20)17-15(13-16)9-5-3-2-4-6-10-15/h14,17H,2-12H2,1H3
InChIKeyDZNRVUCZVYKDRD-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.56
Rot. Bonds3

About N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide

N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 61133607) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide
PubChem CID61133607
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NC2(C#N)CCCCCCC2)C1
InChIInChI=1S/C15H27N3O2S/c1-14-8-7-11-18(12-14)21(19,20)17-15(13-16)9-5-3-2-4-6-10-15/h14,17H,2-12H2,1H3
InChIKeyDZNRVUCZVYKDRD-UHFFFAOYSA-N
XLogP2.56
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclooctyl]-4-methylpiperidine-1-sulfonamide
CID 28940610
N-[1-(aminomethyl)cyclooctyl]piperidine-1-sulfonamide
CID 28940612
N-[1-(aminomethyl)cyclooctyl]-2-methylpiperidine-1-sulfonamide
CID 43119818
N-[1-(aminomethyl)cyclooctyl]-3-methylpiperidine-1-sulfonamide
CID 43119819
N-(1-cyanocyclohexyl)piperidine-1-sulfonamide
CID 60723801
N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide
CID 60728167
N-(1-cyanocyclohexyl)-4-methylpiperidine-1-sulfonamide
CID 60728775
N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-sulfonamide
CID 61121904
N-(2-cyanobutan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 61121922
N-(3-cyanopentan-3-yl)-2-methylpiperidine-1-sulfonamide
CID 61122124
N-(1-cyano-4-ethylcyclohexyl)-3-methylpiperidine-1-sulfonamide
CID 61122297
N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide
CID 61122316

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide (CID 61133607) is N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NC2(C#N)CCCCCCC2)C1.
What is the InChIKey of N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is DZNRVUCZVYKDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-14-8-7-11-18(12-14)21(19,20)17-15(13-16)9-5-3-2-4-6-10-15/h14,17H,2-12H2,1H3.
What are the key properties of N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide?
N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61133607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).