5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C13H19NO5S2 — CID 60950437

IUPAC5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(CCO)C2CCCC2)sc1C(=O)O
InChIInChI=1S/C13H19NO5S2/c1-9-8-11(20-12(9)13(16)17)21(18,19)14(6-7-15)10-4-2-3-5-10/h8,10,15H,2-7H2,1H3,(H,16,17)
InChIKeyJQNYHCWEXICXPB-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.68
Rot. Bonds6

About 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 60950437) has the molecular formula C13H19NO5S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID60950437
Molecular FormulaC13H19NO5S2
Molecular Weight333.43 g/mol
Exact Mass333.07
IUPAC Name5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(CCO)C2CCCC2)sc1C(=O)O
InChIInChI=1S/C13H19NO5S2/c1-9-8-11(20-12(9)13(16)17)21(18,19)14(6-7-15)10-4-2-3-5-10/h8,10,15H,2-7H2,1H3,(H,16,17)
InChIKeyJQNYHCWEXICXPB-UHFFFAOYSA-N
XLogP1.68
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43578743
5-[2-cyanoethyl(cyclopropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 61040162
5-[cyclopropyl(2-methylpropyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60952426
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 60950128
N-cyclohexyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414836
5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950394
5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 127020813
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102860909
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 43578757
5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 106359339
5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54998995
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107327564

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 60950437) is 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)N(CCO)C2CCCC2)sc1C(=O)O.
What is the InChIKey of 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is JQNYHCWEXICXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S2/c1-9-8-11(20-12(9)13(16)17)21(18,19)14(6-7-15)10-4-2-3-5-10/h8,10,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 333.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 60950437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).