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

C14H25N3O2S — CID 61123301

IUPACN-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2(C#N)CCCCCC2)CC1
InChIInChI=1S/C14H25N3O2S/c1-13-6-10-17(11-7-13)20(18,19)16-14(12-15)8-4-2-3-5-9-14/h13,16H,2-11H2,1H3
InChIKeyGQDSZQCIVHTUKX-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.17
Rot. Bonds3

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

N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 61123301) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide
PubChem CID61123301
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NC2(C#N)CCCCCC2)CC1
InChIInChI=1S/C14H25N3O2S/c1-13-6-10-17(11-7-13)20(18,19)16-14(12-15)8-4-2-3-5-9-14/h13,16H,2-11H2,1H3
InChIKeyGQDSZQCIVHTUKX-UHFFFAOYSA-N
XLogP2.17
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cycloheptyl]-4-methylpiperidine-1-sulfonamide
CID 28940660
N-[1-(aminomethyl)cycloheptyl]piperidine-1-sulfonamide
CID 28940662
N-[1-(aminomethyl)cycloheptyl]-2-methylpiperidine-1-sulfonamide
CID 43119821
N-[1-(aminomethyl)cycloheptyl]-3-methylpiperidine-1-sulfonamide
CID 43119822
N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 43598288
N-[(1-aminocycloheptyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 43598290
N-[(1-aminocycloheptyl)methyl]piperidine-1-sulfonamide
CID 43598291
N-[(1-aminocycloheptyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 43598294
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 43598301
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
CID 54947884
N-(1-cyanocyclohexyl)piperidine-1-sulfonamide
CID 60723801
N-(1-cyanocyclopentyl)-4-methylpiperidine-1-sulfonamide
CID 60728167

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide (CID 61123301) is N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NC2(C#N)CCCCCC2)CC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is GQDSZQCIVHTUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-13-6-10-17(11-7-13)20(18,19)16-14(12-15)8-4-2-3-5-9-14/h13,16H,2-11H2,1H3.
What are the key properties of N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide?
N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61123301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).