4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid

C12H23NO4S — CID 43209540

IUPAC4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid
SMILESCCN(C1CCCCC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H23NO4S/c1-2-13(11-7-4-3-5-8-11)18(16,17)10-6-9-12(14)15/h11H,2-10H2,1H3,(H,14,15)
InChIKeyICKOSIZQHTWQQM-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.84
Rot. Bonds7

About 4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid

4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid (PubChem CID 43209540) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid
PubChem CID43209540
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid
SMILESCCN(C1CCCCC1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H23NO4S/c1-2-13(11-7-4-3-5-8-11)18(16,17)10-6-9-12(14)15/h11H,2-10H2,1H3,(H,14,15)
InChIKeyICKOSIZQHTWQQM-UHFFFAOYSA-N
XLogP1.84
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Dipropylsulfamoyl)butanoic acid
CID 28513702
2-Methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoic acid
CID 59634233
3-(2,6-Dimethylpiperidin-1-yl)sulfonylpropanoic acid
CID 24253478
3-(2-Methylpiperidin-1-yl)sulfonylpropanoic acid
CID 24253483
3-(2-Ethylpiperidin-1-yl)sulfonylpropanoic acid
CID 24253485
3-(2,6-Dimethylpiperidin-1-yl)sulfonyl-2,2-dimethylpropanoic acid
CID 24253515
2,2-Dimethyl-3-(2-methylpiperidin-1-yl)sulfonylpropanoic acid
CID 24253520
3-(2-Ethylpiperidin-1-yl)sulfonyl-2,2-dimethylpropanoic acid
CID 24253522
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]sulfonylpropanoic acid
CID 27351664
4-(Piperidine-1-sulfonyl)butanoic acid
CID 28513446
4-[Butyl(methyl)sulfamoyl]butanoic acid
CID 28513685
4-(Azepan-1-ylsulfonyl)butanoic acid
CID 28513707

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid (CID 43209540) is 4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid is CCN(C1CCCCC1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid?
The InChIKey is ICKOSIZQHTWQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-2-13(11-7-4-3-5-8-11)18(16,17)10-6-9-12(14)15/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of 4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid?
4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid has a molecular weight of 277.39 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(ethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 43209540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).