3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid

C12H24N2O4S — CID 55008468

IUPAC3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)S(=O)(=O)N(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-10(12(15)16)9-13(2)19(17,18)14(3)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyXCOMBUJJMVUBKX-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.15
Rot. Bonds6

About 3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid

3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 55008468) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID55008468
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)S(=O)(=O)N(C)C1CCCCC1)C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-10(12(15)16)9-13(2)19(17,18)14(3)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyXCOMBUJJMVUBKX-UHFFFAOYSA-N
XLogP1.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid (CID 55008468) is 3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid is CC(CN(C)S(=O)(=O)N(C)C1CCCCC1)C(=O)O.
What is the InChIKey of 3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is XCOMBUJJMVUBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(12(15)16)9-13(2)19(17,18)14(3)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid?
3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 292.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55008468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).