2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile

C11H21N3O2S — CID 115270312

IUPAC2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile
SMILESCN(C)S(=O)(=O)N(C)C1CCC(CC#N)CC1
InChIInChI=1S/C11H21N3O2S/c1-13(2)17(15,16)14(3)11-6-4-10(5-7-11)8-9-12/h10-11H,4-8H2,1-3H3
InChIKeyFNIWMMIVGFOKJL-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.20
Rot. Bonds4

About 2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile

2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile (PubChem CID 115270312) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile
PubChem CID115270312
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile
SMILESCN(C)S(=O)(=O)N(C)C1CCC(CC#N)CC1
InChIInChI=1S/C11H21N3O2S/c1-13(2)17(15,16)14(3)11-6-4-10(5-7-11)8-9-12/h10-11H,4-8H2,1-3H3
InChIKeyFNIWMMIVGFOKJL-UHFFFAOYSA-N
XLogP1.20
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile?
The IUPAC name of 2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile (CID 115270312) is 2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile.
What is the SMILES notation for 2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile?
The canonical SMILES for 2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile is CN(C)S(=O)(=O)N(C)C1CCC(CC#N)CC1.
What is the InChIKey of 2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile?
The InChIKey is FNIWMMIVGFOKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-13(2)17(15,16)14(3)11-6-4-10(5-7-11)8-9-12/h10-11H,4-8H2,1-3H3.
What are the key properties of 2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile?
2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile has a molecular weight of 259.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile is sourced from PubChem (CID 115270312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).