2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid

C10H19NO4S — CID 43362184

IUPAC2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid
SMILESCC1CCC(N(C)S(=O)(=O)CC(=O)O)CC1
InChIInChI=1S/C10H19NO4S/c1-8-3-5-9(6-4-8)11(2)16(14,15)7-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeySBOWCUAYCLNPJH-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.91
Rot. Bonds4

About 2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid

2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid (PubChem CID 43362184) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid
PubChem CID43362184
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid
SMILESCC1CCC(N(C)S(=O)(=O)CC(=O)O)CC1
InChIInChI=1S/C10H19NO4S/c1-8-3-5-9(6-4-8)11(2)16(14,15)7-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeySBOWCUAYCLNPJH-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Methylcyclohexyl)sulfamoyl]acetic acid
CID 28773577
3-[(4-Methylcyclohexyl)sulfamoyl]propanoic acid
CID 43209528
2-[Cyclohexyl(methyl)sulfamoyl]acetic acid
CID 43209538
2-[Cyclohexyl(ethyl)sulfamoyl]acetic acid
CID 43209541
2-[(2-Methylcyclohexyl)sulfamoyl]acetic acid
CID 43209544
2-[(3-Methylcyclohexyl)sulfamoyl]acetic acid
CID 43317815
4-[Methyl-(4-methylcyclohexyl)sulfamoyl]butanoic acid
CID 43362185
3-[Methyl-(4-methylcyclohexyl)sulfamoyl]propanoic acid
CID 43362186
2-(3-Ethylpiperidin-1-yl)sulfonylacetic acid
CID 43584331
3-(2-Cyclohexylpyrrolidin-1-yl)sulfonylpropanoic acid
CID 54876184
4-[(4-Ethylcyclohexyl)-methylsulfamoyl]butanoic acid
CID 54907139
2-[Methyl-(3-methylcyclohexyl)sulfamoyl]propanoic acid
CID 54947503

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid (CID 43362184) is 2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid is CC1CCC(N(C)S(=O)(=O)CC(=O)O)CC1.
What is the InChIKey of 2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid?
The InChIKey is SBOWCUAYCLNPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8-3-5-9(6-4-8)11(2)16(14,15)7-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid?
2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid has a molecular weight of 249.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylcyclohexyl)sulfamoyl]acetic acid is sourced from PubChem (CID 43362184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).