1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane

C12H23N3O2S — CID 54947883

IUPAC1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCC1CCC(C#N)(NS(=O)(=O)N(C)C(C)C)CC1
InChIInChI=1S/C12H23N3O2S/c1-10(2)15(4)18(16,17)14-12(9-13)7-5-11(3)6-8-12/h10-11,14H,5-8H2,1-4H3
InChIKeyXMJVULPDBGTXBZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.63
Rot. Bonds4

About 1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane

1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (PubChem CID 54947883) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.

Molecular Properties

Compound Name1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
PubChem CID54947883
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
SMILESCC1CCC(C#N)(NS(=O)(=O)N(C)C(C)C)CC1
InChIInChI=1S/C12H23N3O2S/c1-10(2)15(4)18(16,17)14-12(9-13)7-5-11(3)6-8-12/h10-11,14H,5-8H2,1-4H3
InChIKeyXMJVULPDBGTXBZ-UHFFFAOYSA-N
XLogP1.63
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The IUPAC name of 1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane (CID 54947883) is 1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane.
What is the SMILES notation for 1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The canonical SMILES for 1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is CC1CCC(C#N)(NS(=O)(=O)N(C)C(C)C)CC1.
What is the InChIKey of 1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
The InChIKey is XMJVULPDBGTXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-10(2)15(4)18(16,17)14-12(9-13)7-5-11(3)6-8-12/h10-11,14H,5-8H2,1-4H3.
What are the key properties of 1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane?
1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane has a molecular weight of 273.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane is sourced from PubChem (CID 54947883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).