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

C12H17NO5S2 — CID 60950128

IUPAC5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N(CCO)C2CCCC2)c1
InChIInChI=1S/C12H17NO5S2/c14-6-5-13(10-3-1-2-4-10)20(17,18)11-7-9(8-19-11)12(15)16/h7-8,10,14H,1-6H2,(H,15,16)
InChIKeyHCTJIHAYCNRLMR-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.37
Rot. Bonds6

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

5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 60950128) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID60950128
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N(CCO)C2CCCC2)c1
InChIInChI=1S/C12H17NO5S2/c14-6-5-13(10-3-1-2-4-10)20(17,18)11-7-9(8-19-11)12(15)16/h7-8,10,14H,1-6H2,(H,15,16)
InChIKeyHCTJIHAYCNRLMR-UHFFFAOYSA-N
XLogP1.37
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[cyclobutyl(methyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104656510
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950437
6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872606
3-[cyclobutyl(2-hydroxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 102861058
6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 102861024
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 43578757
5-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43578743
4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 43578756
5-chloro-N-cyclohexyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54998995
5-(cycloheptylsulfamoyl)thiophene-3-carboxylic acid
CID 43091190
N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 43577528
N-cyclohexyl-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414836

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid (CID 60950128) is 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)N(CCO)C2CCCC2)c1.
What is the InChIKey of 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is HCTJIHAYCNRLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c14-6-5-13(10-3-1-2-4-10)20(17,18)11-7-9(8-19-11)12(15)16/h7-8,10,14H,1-6H2,(H,15,16).
What are the key properties of 5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 1.37, 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]thiophene-3-carboxylic acid is sourced from PubChem (CID 60950128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).