1-(methylsulfamoylamino)cyclohexane-1-carbonitrile

C8H15N3O2S — CID 114807697

IUPAC1-(methylsulfamoylamino)cyclohexane-1-carbonitrile
SMILESCNS(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C8H15N3O2S/c1-10-14(12,13)11-8(7-9)5-3-2-4-6-8/h10-11H,2-6H2,1H3
InChIKeyUSVALEHRPJDESL-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.27
Rot. Bonds3

About 1-(methylsulfamoylamino)cyclohexane-1-carbonitrile

1-(methylsulfamoylamino)cyclohexane-1-carbonitrile (PubChem CID 114807697) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(methylsulfamoylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(methylsulfamoylamino)cyclohexane-1-carbonitrile
PubChem CID114807697
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-(methylsulfamoylamino)cyclohexane-1-carbonitrile
SMILESCNS(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C8H15N3O2S/c1-10-14(12,13)11-8(7-9)5-3-2-4-6-8/h10-11H,2-6H2,1H3
InChIKeyUSVALEHRPJDESL-UHFFFAOYSA-N
XLogP0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(methylsulfamoylamino)cyclohexane-1-carbonitrile 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-cyanocyclohexyl)methanesulfonamide
CID 60681350
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637017
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947882
1-Cyano-1-(diethylsulfamoylamino)cyclohexane
CID 60713524
1-Cyano-1-(dimethylsulfamoylamino)-4-methylcyclohexane
CID 61122288
1-Cyano-1-(dimethylsulfamoylamino)cyclohexane
CID 61123479
4-Ethyl-1-(ethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113637019
2-(Tert-butylsulfamoylamino)-2-cyclohexylacetonitrile
CID 113637024
2-Cyclohexyl-2-(propan-2-ylsulfamoylamino)acetonitrile
CID 113637026
4-Methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113638035
2-Cyclohexyl-2-(2-methylpropylsulfamoylamino)acetonitrile
CID 113638038
1-(Ethylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807690

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(methylsulfamoylamino)cyclohexane-1-carbonitrile (CID 114807697) is 1-(methylsulfamoylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(methylsulfamoylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(methylsulfamoylamino)cyclohexane-1-carbonitrile is CNS(=O)(=O)NC1(C#N)CCCCC1.
What is the InChIKey of 1-(methylsulfamoylamino)cyclohexane-1-carbonitrile?
The InChIKey is USVALEHRPJDESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-10-14(12,13)11-8(7-9)5-3-2-4-6-8/h10-11H,2-6H2,1H3.
What are the key properties of 1-(methylsulfamoylamino)cyclohexane-1-carbonitrile?
1-(methylsulfamoylamino)cyclohexane-1-carbonitrile has a molecular weight of 217.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 114807697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).