N-(1-cyanocycloheptyl)azepane-1-sulfonamide

C14H25N3O2S — CID 61124102

IUPACN-(1-cyanocycloheptyl)azepane-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCCCCC2)CCCCCC1
InChIInChI=1S/C14H25N3O2S/c15-13-14(9-5-1-2-6-10-14)16-20(18,19)17-11-7-3-4-8-12-17/h16H,1-12H2
InChIKeySTKUBZBHKKVPJI-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.31
Rot. Bonds3

About N-(1-cyanocycloheptyl)azepane-1-sulfonamide

N-(1-cyanocycloheptyl)azepane-1-sulfonamide (PubChem CID 61124102) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)azepane-1-sulfonamide
PubChem CID61124102
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-(1-cyanocycloheptyl)azepane-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCCCCC2)CCCCCC1
InChIInChI=1S/C14H25N3O2S/c15-13-14(9-5-1-2-6-10-14)16-20(18,19)17-11-7-3-4-8-12-17/h16H,1-12H2
InChIKeySTKUBZBHKKVPJI-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocycloheptyl)azepane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)cycloheptyl]azepane-1-sulfonamide
CID 28940664
N-[(1-aminocycloheptyl)methyl]azepane-1-sulfonamide
CID 43598293
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
CID 54947884
N-(1-cyanocyclopentyl)azepane-1-sulfonamide
CID 60713472
N-(1-cyanocyclohexyl)azepane-1-sulfonamide
CID 60713525
1-Cyano-1-(dimethylsulfamoylamino)cycloheptane
CID 61121911
N-(1-cyano-4-ethylcyclohexyl)azepane-1-sulfonamide
CID 61122692
N-(3-cyanopentan-3-yl)azepane-1-sulfonamide
CID 61122719
N-(1-cyanocycloheptyl)-4-methylpiperidine-1-sulfonamide
CID 61123301
N-(1-cyanocycloheptyl)pyrrolidine-1-sulfonamide
CID 61123502
N-(1-cyanocycloheptyl)-3-methylpiperidine-1-sulfonamide
CID 61123699
1-Cyano-1-(diethylsulfamoylamino)cycloheptane
CID 61124695

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)azepane-1-sulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)azepane-1-sulfonamide (CID 61124102) is N-(1-cyanocycloheptyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)azepane-1-sulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)azepane-1-sulfonamide is N#CC1(NS(=O)(=O)N2CCCCCC2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)azepane-1-sulfonamide?
The InChIKey is STKUBZBHKKVPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c15-13-14(9-5-1-2-6-10-14)16-20(18,19)17-11-7-3-4-8-12-17/h16H,1-12H2.
What are the key properties of N-(1-cyanocycloheptyl)azepane-1-sulfonamide?
N-(1-cyanocycloheptyl)azepane-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)azepane-1-sulfonamide is sourced from PubChem (CID 61124102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).