1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile

C10H19N3O2S — CID 82130549

IUPAC1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile
SMILESCN(C)S(=O)(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C10H19N3O2S/c1-12(2)16(14,15)13(3)10(9-11)7-5-4-6-8-10/h4-8H2,1-3H3
InChIKeyLSUOGORVBZYZOU-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.95
Rot. Bonds3

About 1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile

1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile (PubChem CID 82130549) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile
PubChem CID82130549
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile
SMILESCN(C)S(=O)(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C10H19N3O2S/c1-12(2)16(14,15)13(3)10(9-11)7-5-4-6-8-10/h4-8H2,1-3H3
InChIKeyLSUOGORVBZYZOU-UHFFFAOYSA-N
XLogP0.95
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-N-methylmethanesulfonamide
CID 82127083
N-(1-cyanocyclohexyl)-N-ethylmethanesulfonamide
CID 146019770
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
N-(1-cyanocyclohexyl)-N-methylethanesulfonamide
CID 82128567
1-[Dimethylsulfamoyl(methyl)amino]cyclopentane-1-carbonitrile
CID 82128696
N-(1-cyanocyclohexyl)-N-methylpropane-1-sulfonamide
CID 82130400
N-(1-cyanocyclohexyl)-N-methylbutane-1-sulfonamide
CID 94692287
4-[Dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile
CID 115270242
2-[4-[Dimethylsulfamoyl(methyl)amino]cyclohexyl]acetonitrile
CID 115270312

Frequently Asked Questions

What is the IUPAC name of 1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile (CID 82130549) is 1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile is CN(C)S(=O)(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of 1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is LSUOGORVBZYZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-12(2)16(14,15)13(3)10(9-11)7-5-4-6-8-10/h4-8H2,1-3H3.
What are the key properties of 1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile?
1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 245.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 82130549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).