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

C10H19NO4S — CID 43209542

IUPAC3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid
SMILESCC1CCCCC1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-8-4-2-3-5-9(8)11-16(14,15)7-6-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyCOZNSKBDJBIICD-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.96
Rot. Bonds5

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

3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid (PubChem CID 43209542) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid
PubChem CID43209542
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid
SMILESCC1CCCCC1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-8-4-2-3-5-9(8)11-16(14,15)7-6-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyCOZNSKBDJBIICD-UHFFFAOYSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 43715481
3-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715482
4-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 43715749
3-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715750
2-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]acetic acid
CID 43715764
4-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 43715767
3-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715768
2-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 61454921
2-[[2-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 61454963
2-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 61455205
(2S)-2-[(2,2-difluorocyclohexyl)methylsulfonylamino]propanoic acid
CID 121977452
(2R)-2-[(2,2-difluorocyclohexyl)methylsulfonylamino]propanoic acid
CID 121977671

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid (CID 43209542) is 3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid is CC1CCCCC1NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid?
The InChIKey is COZNSKBDJBIICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8-4-2-3-5-9(8)11-16(14,15)7-6-10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid?
3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 43209542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).