3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid

C12H24N2O4S — CID 61455545

IUPAC3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(NS(=O)(=O)N(C)C(C)C)(C(=O)O)C1
InChIInChI=1S/C12H24N2O4S/c1-9(2)14(4)19(17,18)13-12(11(15)16)7-5-6-10(3)8-12/h9-10,13H,5-8H2,1-4H3,(H,15,16)
InChIKeyJSWPLFNYSGISAZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.19
Rot. Bonds5

About 3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid

3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61455545) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61455545
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(NS(=O)(=O)N(C)C(C)C)(C(=O)O)C1
InChIInChI=1S/C12H24N2O4S/c1-9(2)14(4)19(17,18)13-12(11(15)16)7-5-6-10(3)8-12/h9-10,13H,5-8H2,1-4H3,(H,15,16)
InChIKeyJSWPLFNYSGISAZ-UHFFFAOYSA-N
XLogP1.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid (CID 61455545) is 3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid is CC1CCCC(NS(=O)(=O)N(C)C(C)C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is JSWPLFNYSGISAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-9(2)14(4)19(17,18)13-12(11(15)16)7-5-6-10(3)8-12/h9-10,13H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid?
3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61455545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).