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

C10H19N3O2S — CID 115270242

IUPAC4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile
SMILESCN(C)S(=O)(=O)N(C)C1CCC(C#N)CC1
InChIInChI=1S/C10H19N3O2S/c1-12(2)16(14,15)13(3)10-6-4-9(8-11)5-7-10/h9-10H,4-7H2,1-3H3
InChIKeyMGAJUWWYYPLFQG-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.81
Rot. Bonds3

About 4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile

4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile (PubChem CID 115270242) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile
PubChem CID115270242
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile
SMILESCN(C)S(=O)(=O)N(C)C1CCC(C#N)CC1
InChIInChI=1S/C10H19N3O2S/c1-12(2)16(14,15)13(3)10-6-4-9(8-11)5-7-10/h9-10H,4-7H2,1-3H3
InChIKeyMGAJUWWYYPLFQG-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile (CID 115270242) is 4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile is CN(C)S(=O)(=O)N(C)C1CCC(C#N)CC1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is MGAJUWWYYPLFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-12(2)16(14,15)13(3)10-6-4-9(8-11)5-7-10/h9-10H,4-7H2,1-3H3.
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile?
4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 245.35 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 115270242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).