1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane

C12H23N3O2S — CID 47185792

IUPAC1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane
SMILESCCC1CCCCC1NS(=O)(=O)N(C)CCC#N
InChIInChI=1S/C12H23N3O2S/c1-3-11-7-4-5-8-12(11)14-18(16,17)15(2)10-6-9-13/h11-12,14H,3-8,10H2,1-2H3
InChIKeyGWOHWNCZWHTCQV-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.64
Rot. Bonds6

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

1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane (PubChem CID 47185792) 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-ethylcyclohexane.

Molecular Properties

Compound Name1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane
PubChem CID47185792
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane
SMILESCCC1CCCCC1NS(=O)(=O)N(C)CCC#N
InChIInChI=1S/C12H23N3O2S/c1-3-11-7-4-5-8-12(11)14-18(16,17)15(2)10-6-9-13/h11-12,14H,3-8,10H2,1-2H3
InChIKeyGWOHWNCZWHTCQV-UHFFFAOYSA-N
XLogP1.64
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.64
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-ethylcyclohexane?
The IUPAC name of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane (CID 47185792) is 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane.
What is the SMILES notation for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane?
The canonical SMILES for 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane is CCC1CCCCC1NS(=O)(=O)N(C)CCC#N.
What is the InChIKey of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane?
The InChIKey is GWOHWNCZWHTCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-3-11-7-4-5-8-12(11)14-18(16,17)15(2)10-6-9-13/h11-12,14H,3-8,10H2,1-2H3.
What are the key properties of 1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane?
1-[[2-cyanoethyl(methyl)sulfamoyl]amino]-2-ethylcyclohexane has a molecular weight of 273.40 g/mol, XLogP of 1.64, 6 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-ethylcyclohexane is sourced from PubChem (CID 47185792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).