3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid

C11H21NO4S — CID 43362186

IUPAC3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid
SMILESCC1CCC(N(C)S(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C11H21NO4S/c1-9-3-5-10(6-4-9)12(2)17(15,16)8-7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyWROSZKBEIJZTNI-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.30
Rot. Bonds5

About 3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid

3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid (PubChem CID 43362186) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid
PubChem CID43362186
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid
SMILESCC1CCC(N(C)S(=O)(=O)CCC(=O)O)CC1
InChIInChI=1S/C11H21NO4S/c1-9-3-5-10(6-4-9)12(2)17(15,16)8-7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyWROSZKBEIJZTNI-UHFFFAOYSA-N
XLogP1.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid (CID 43362186) is 3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid is CC1CCC(N(C)S(=O)(=O)CCC(=O)O)CC1.
What is the InChIKey of 3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid?
The InChIKey is WROSZKBEIJZTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9-3-5-10(6-4-9)12(2)17(15,16)8-7-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid?
3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43362186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).