N-(1-cyanocyclohexyl)propane-2-sulfonamide

C10H18N2O2S — CID 61122084

IUPACN-(1-cyanocyclohexyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C10H18N2O2S/c1-9(2)15(13,14)12-10(8-11)6-4-3-5-7-10/h9,12H,3-7H2,1-2H3
InChIKeyQBHJGZLJUPHMGF-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.54
Rot. Bonds3

About N-(1-cyanocyclohexyl)propane-2-sulfonamide

N-(1-cyanocyclohexyl)propane-2-sulfonamide (PubChem CID 61122084) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)propane-2-sulfonamide
PubChem CID61122084
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(1-cyanocyclohexyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C10H18N2O2S/c1-9(2)15(13,14)12-10(8-11)6-4-3-5-7-10/h9,12H,3-7H2,1-2H3
InChIKeyQBHJGZLJUPHMGF-UHFFFAOYSA-N
XLogP1.54
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocyclohexyl)propane-2-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-Cyano-3-methylcyclohexyl)ethanesulfonamide
CID 86799164
1-(1-aminocyclohexyl)-N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
CID 71057816
N-(1-cyanocyclohexyl)methanesulfonamide
CID 60681350
N-(1-cyanocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059396
N-(1-cyano-4-methylcyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059551
C-(1-Amino-cyclohexyl)-N,N-dimethyl-methanesulfonamide
CID 58947953
N-(1-cyanocyclopentyl)propane-2-sulfonamide
CID 61123668
1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide
CID 71057607
1-(1-aminocyclohexyl)-N-tert-butyl-N-methylmethanesulfonamide
CID 71057617
1-(1-aminocyclohexyl)-N-methylmethanesulfonamide
CID 71057763
1-(1-aminocyclohexyl)-N-tert-butylmethanesulfonamide
CID 71057835
1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide
CID 71057840

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)propane-2-sulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)propane-2-sulfonamide (CID 61122084) is N-(1-cyanocyclohexyl)propane-2-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)propane-2-sulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)propane-2-sulfonamide?
The InChIKey is QBHJGZLJUPHMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-9(2)15(13,14)12-10(8-11)6-4-3-5-7-10/h9,12H,3-7H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)propane-2-sulfonamide?
N-(1-cyanocyclohexyl)propane-2-sulfonamide has a molecular weight of 230.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)propane-2-sulfonamide is sourced from PubChem (CID 61122084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).