2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid

C14H19NO4S2 — CID 61454901

IUPAC2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C14H19NO4S2/c1-10(14(16)17)21(18,19)15-12-8-4-5-9-13(12)20-11-6-2-3-7-11/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyHTPUAIDJLWHYQW-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.94
Rot. Bonds6

About 2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid

2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid (PubChem CID 61454901) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid
PubChem CID61454901
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccccc1SC1CCCC1
InChIInChI=1S/C14H19NO4S2/c1-10(14(16)17)21(18,19)15-12-8-4-5-9-13(12)20-11-6-2-3-7-11/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyHTPUAIDJLWHYQW-UHFFFAOYSA-N
XLogP2.94
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 55617034
2-[(2-aminophenyl)sulfamoyl]propanoic acid
CID 61457996
N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
CID 55096699
N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835848
N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
CID 60843241
(2R)-N-(2-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 103795387
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 55873145
2-[(2-cyclopentylsulfanylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60941402
2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
CID 61454482
2-amino-N-(2-cyclopentylsulfanylphenyl)-3-methylpentanamide
CID 43696805

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid (CID 61454901) is 2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1ccccc1SC1CCCC1.
What is the InChIKey of 2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid?
The InChIKey is HTPUAIDJLWHYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-10(14(16)17)21(18,19)15-12-8-4-5-9-13(12)20-11-6-2-3-7-11/h4-5,8-11,15H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid?
2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid has a molecular weight of 329.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61454901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).