4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid

C11H21NO4S2 — CID 114122691

IUPAC4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid
SMILESCSC1CCC(NS(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C11H21NO4S2/c1-17-10-6-4-9(5-7-10)12-18(15,16)8-2-3-11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyGWPFYDKPXKKXEO-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.44
Rot. Bonds7

About 4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid

4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid (PubChem CID 114122691) has the molecular formula C11H21NO4S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid
PubChem CID114122691
Molecular FormulaC11H21NO4S2
Molecular Weight295.43 g/mol
Exact Mass295.09
IUPAC Name4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid
SMILESCSC1CCC(NS(=O)(=O)CCCC(=O)O)CC1
InChIInChI=1S/C11H21NO4S2/c1-17-10-6-4-9(5-7-10)12-18(15,16)8-2-3-11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyGWPFYDKPXKKXEO-UHFFFAOYSA-N
XLogP1.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 54955484
methyl 4-[(3-methylsulfanylcyclopentyl)sulfamoyl]butanoate
CID 103697953
6-[(4-methylsulfanylcyclohexyl)amino]-6-oxohexanoic acid
CID 114122613
N-(4-methylsulfanylcyclohexyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 114123735
N-(3-methylsulfanylcyclopentyl)propane-1-sulfonamide
CID 103697967
4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid
CID 61211429
methyl 4-[(4-hydroxycyclohexyl)sulfamoyl]butanoate
CID 54952583
3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid
CID 114122704
4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]butanoic acid
CID 107216293
4-[[3-(cyclopropylamino)-3-oxopropyl]sulfamoyl]butanoic acid
CID 79394848
3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]propanoic acid
CID 43701247
4-[(2-ethylcyclohexyl)sulfamoyl]butanoic acid
CID 43711222

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid (CID 114122691) is 4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid is CSC1CCC(NS(=O)(=O)CCCC(=O)O)CC1.
What is the InChIKey of 4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid?
The InChIKey is GWPFYDKPXKKXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S2/c1-17-10-6-4-9(5-7-10)12-18(15,16)8-2-3-11(13)14/h9-10,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid?
4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid has a molecular weight of 295.43 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfanylcyclohexyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 114122691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).