4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid

C12H23NO5S — CID 54876206

IUPAC4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H23NO5S/c14-9-8-13(11-5-2-1-3-6-11)19(17,18)10-4-7-12(15)16/h11,14H,1-10H2,(H,15,16)
InChIKeyCSTIEEUPRHMTAX-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.81
Rot. Bonds8

About 4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid

4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid (PubChem CID 54876206) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is 4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid
PubChem CID54876206
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Name4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N(CCO)C1CCCCC1
InChIInChI=1S/C12H23NO5S/c14-9-8-13(11-5-2-1-3-6-11)19(17,18)10-4-7-12(15)16/h11,14H,1-10H2,(H,15,16)
InChIKeyCSTIEEUPRHMTAX-UHFFFAOYSA-N
XLogP0.81
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860949
4-[cyclopentyl(ethyl)sulfamoyl]butanoic acid
CID 43541031
3-chloro-N-cyclopentyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 60958952
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)ethanesulfonamide
CID 102861399
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131
N-cyclopentyl-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593960
3-[cyclopropyl(propyl)sulfamoyl]propanoic acid
CID 43270296
4-[ethyl(piperidin-3-yl)sulfamoyl]butanoic acid
CID 63638842
5-[cyclobutyl(2-hydroxyethyl)amino]pentanoic acid
CID 102863962
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 102847521
N-cyclobutyl-N-(2-hydroxyethyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867644
N-cyclobutyl-N-(2-hydroxyethyl)-2-methylpropane-1-sulfonamide
CID 102675688

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid (CID 54876206) is 4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)N(CCO)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid?
The InChIKey is CSTIEEUPRHMTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c14-9-8-13(11-5-2-1-3-6-11)19(17,18)10-4-7-12(15)16/h11,14H,1-10H2,(H,15,16).
What are the key properties of 4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid?
4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid has a molecular weight of 293.38 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(2-hydroxyethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 54876206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).