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

C11H21N3O2S — CID 47171484

IUPAC1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane
SMILESCC1CCCC(NS(=O)(=O)N(C)CCC#N)C1
InChIInChI=1S/C11H21N3O2S/c1-10-5-3-6-11(9-10)13-17(15,16)14(2)8-4-7-12/h10-11,13H,3-6,8-9H2,1-2H3
InChIKeyNCYROONERIIISN-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.24
Rot. Bonds5

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

1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane (PubChem CID 47171484) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane.

Molecular Properties

Compound Name1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane
PubChem CID47171484
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane
SMILESCC1CCCC(NS(=O)(=O)N(C)CCC#N)C1
InChIInChI=1S/C11H21N3O2S/c1-10-5-3-6-11(9-10)13-17(15,16)14(2)8-4-7-12/h10-11,13H,3-6,8-9H2,1-2H3
InChIKeyNCYROONERIIISN-UHFFFAOYSA-N
XLogP1.24
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.24
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]-3-methylcyclohexane?
The IUPAC name of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane (CID 47171484) is 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane.
What is the SMILES notation for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane?
The canonical SMILES for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane is CC1CCCC(NS(=O)(=O)N(C)CCC#N)C1.
What is the InChIKey of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane?
The InChIKey is NCYROONERIIISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-10-5-3-6-11(9-10)13-17(15,16)14(2)8-4-7-12/h10-11,13H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane?
1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-3-methylcyclohexane has a molecular weight of 259.37 g/mol, XLogP of 1.24, 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]-3-methylcyclohexane is sourced from PubChem (CID 47171484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).