2-(2-cyclohexylethylsulfamoyl)propanoic acid

C11H21NO4S — CID 54947176

IUPAC2-(2-cyclohexylethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C11H21NO4S/c1-9(11(13)14)17(15,16)12-8-7-10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyPUMBIEAOPMVOLX-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.35
Rot. Bonds6

About 2-(2-cyclohexylethylsulfamoyl)propanoic acid

2-(2-cyclohexylethylsulfamoyl)propanoic acid (PubChem CID 54947176) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-(2-cyclohexylethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(2-cyclohexylethylsulfamoyl)propanoic acid
PubChem CID54947176
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-(2-cyclohexylethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C11H21NO4S/c1-9(11(13)14)17(15,16)12-8-7-10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyPUMBIEAOPMVOLX-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715482
3-[[4-(Trifluoromethyl)cyclohexyl]sulfamoyl]propanoic acid
CID 43715750
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
2-(Nonylsulfamoyl)propanoic acid
CID 20634432
3-[(2-Ethylhexyl)sulfamoyl]propanoic acid
CID 23461310
3-(Nonylsulfamoyl)propanoic acid
CID 54055847
(2S)-2-[(4-ethylcyclohexyl)sulfonylamino]-3-methylbutanoic acid
CID 143588619
2-(3-Propylnonylsulfamoyl)acetic acid
CID 174164647
3-(Cyclohexylsulfamoyl)-2,2-dimethylpropanoic acid
CID 28515562

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethylsulfamoyl)propanoic acid?
The IUPAC name of 2-(2-cyclohexylethylsulfamoyl)propanoic acid (CID 54947176) is 2-(2-cyclohexylethylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(2-cyclohexylethylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(2-cyclohexylethylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)NCCC1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylethylsulfamoyl)propanoic acid?
The InChIKey is PUMBIEAOPMVOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(11(13)14)17(15,16)12-8-7-10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-(2-cyclohexylethylsulfamoyl)propanoic acid?
2-(2-cyclohexylethylsulfamoyl)propanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethylsulfamoyl)propanoic acid is sourced from PubChem (CID 54947176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).