3-(cyclohexylmethylsulfamoyl)propanoic acid

C10H19NO4S — CID 43173082

IUPAC3-(cyclohexylmethylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C10H19NO4S/c12-10(13)6-7-16(14,15)11-8-9-4-2-1-3-5-9/h9,11H,1-8H2,(H,12,13)
InChIKeyVSSLMCUBVUJARY-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.96
Rot. Bonds6

About 3-(cyclohexylmethylsulfamoyl)propanoic acid

3-(cyclohexylmethylsulfamoyl)propanoic acid (PubChem CID 43173082) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(cyclohexylmethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name3-(cyclohexylmethylsulfamoyl)propanoic acid
PubChem CID43173082
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name3-(cyclohexylmethylsulfamoyl)propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C10H19NO4S/c12-10(13)6-7-16(14,15)11-8-9-4-2-1-3-5-9/h9,11H,1-8H2,(H,12,13)
InChIKeyVSSLMCUBVUJARY-UHFFFAOYSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylsulfamoyl)propanoic acid?
The IUPAC name of 3-(cyclohexylmethylsulfamoyl)propanoic acid (CID 43173082) is 3-(cyclohexylmethylsulfamoyl)propanoic acid.
What is the SMILES notation for 3-(cyclohexylmethylsulfamoyl)propanoic acid?
The canonical SMILES for 3-(cyclohexylmethylsulfamoyl)propanoic acid is O=C(O)CCS(=O)(=O)NCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethylsulfamoyl)propanoic acid?
The InChIKey is VSSLMCUBVUJARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c12-10(13)6-7-16(14,15)11-8-9-4-2-1-3-5-9/h9,11H,1-8H2,(H,12,13).
What are the key properties of 3-(cyclohexylmethylsulfamoyl)propanoic acid?
3-(cyclohexylmethylsulfamoyl)propanoic acid has a molecular weight of 249.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylsulfamoyl)propanoic acid is sourced from PubChem (CID 43173082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).