[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane

C12H23N3O2S — CID 54947099

IUPAC[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C12H23N3O2S/c1-10(2)15(3)18(16,17)14-12(9-13)11-7-5-4-6-8-11/h10-12,14H,4-8H2,1-3H3
InChIKeyCPTYAEHFIBQMIS-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.63
Rot. Bonds5

About [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane

[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane (PubChem CID 54947099) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane.

Molecular Properties

Compound Name[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane
PubChem CID54947099
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane
SMILESCC(C)N(C)S(=O)(=O)NC(C#N)C1CCCCC1
InChIInChI=1S/C12H23N3O2S/c1-10(2)15(3)18(16,17)14-12(9-13)11-7-5-4-6-8-11/h10-12,14H,4-8H2,1-3H3
InChIKeyCPTYAEHFIBQMIS-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane?
The IUPAC name of [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane (CID 54947099) is [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane.
What is the SMILES notation for [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane?
The canonical SMILES for [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane is CC(C)N(C)S(=O)(=O)NC(C#N)C1CCCCC1.
What is the InChIKey of [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane?
The InChIKey is CPTYAEHFIBQMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-10(2)15(3)18(16,17)14-12(9-13)11-7-5-4-6-8-11/h10-12,14H,4-8H2,1-3H3.
What are the key properties of [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane?
[cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane has a molecular weight of 273.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano-[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane is sourced from PubChem (CID 54947099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).