1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane

C12H23N3O2S — CID 47164701

IUPAC1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane
SMILESCC1CCCC(NS(=O)(=O)N(C)CCC#N)C1C
InChIInChI=1S/C12H23N3O2S/c1-10-6-4-7-12(11(10)2)14-18(16,17)15(3)9-5-8-13/h10-12,14H,4-7,9H2,1-3H3
InChIKeyZQFDLHPCHYCKEC-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.49
Rot. Bonds5

About 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane

1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane (PubChem CID 47164701) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane.

Molecular Properties

Compound Name1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane
PubChem CID47164701
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane
SMILESCC1CCCC(NS(=O)(=O)N(C)CCC#N)C1C
InChIInChI=1S/C12H23N3O2S/c1-10-6-4-7-12(11(10)2)14-18(16,17)15(3)9-5-8-13/h10-12,14H,4-7,9H2,1-3H3
InChIKeyZQFDLHPCHYCKEC-UHFFFAOYSA-N
XLogP1.49
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane?
The IUPAC name of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane (CID 47164701) is 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane.
What is the SMILES notation for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane?
The canonical SMILES for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane is CC1CCCC(NS(=O)(=O)N(C)CCC#N)C1C.
What is the InChIKey of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane?
The InChIKey is ZQFDLHPCHYCKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-10-6-4-7-12(11(10)2)14-18(16,17)15(3)9-5-8-13/h10-12,14H,4-7,9H2,1-3H3.
What are the key properties of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane?
1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane has a molecular weight of 273.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2,3-dimethylcyclohexane is sourced from PubChem (CID 47164701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).