2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid

C11H21NO4S — CID 54947503

IUPAC2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid
SMILESCC1CCCC(N(C)S(=O)(=O)C(C)C(=O)O)C1
InChIInChI=1S/C11H21NO4S/c1-8-5-4-6-10(7-8)12(3)17(15,16)9(2)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyRMZOZULUJVKKLH-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.30
Rot. Bonds4

About 2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid

2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid (PubChem CID 54947503) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid
PubChem CID54947503
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid
SMILESCC1CCCC(N(C)S(=O)(=O)C(C)C(=O)O)C1
InChIInChI=1S/C11H21NO4S/c1-8-5-4-6-10(7-8)12(3)17(15,16)9(2)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyRMZOZULUJVKKLH-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid (CID 54947503) is 2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid is CC1CCCC(N(C)S(=O)(=O)C(C)C(=O)O)C1.
What is the InChIKey of 2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid?
The InChIKey is RMZOZULUJVKKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-8-5-4-6-10(7-8)12(3)17(15,16)9(2)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid?
2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 54947503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).