5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid

C12H12N2O4S2 — CID 81404136

IUPAC5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(C(=O)O)s1)c1ccncc1
InChIInChI=1S/C12H12N2O4S2/c1-8(9-4-6-13-7-5-9)14-20(17,18)11-3-2-10(19-11)12(15)16/h2-8,14H,1H3,(H,15,16)/t8-/m1/s1
InChIKeyGELVXMPLPLOPLX-MRVPVSSYSA-N
MW312.37 g/mol
LogP1.88
Rot. Bonds5

About 5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid

5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 81404136) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID81404136
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc(C(=O)O)s1)c1ccncc1
InChIInChI=1S/C12H12N2O4S2/c1-8(9-4-6-13-7-5-9)14-20(17,18)11-3-2-10(19-11)12(15)16/h2-8,14H,1H3,(H,15,16)/t8-/m1/s1
InChIKeyGELVXMPLPLOPLX-MRVPVSSYSA-N
XLogP1.88
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1R)-1-phenylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63867055
5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81368003
5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81368965
5-[1-(2-fluorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61027369
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51681297
5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]thiophene-2-carboxylic acid
CID 103258908
5-methyl-4-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 81394759
5-(4-methoxybutan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 64604413
2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 45412910
5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 106156119
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid (CID 81404136) is 5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid is C[C@@H](NS(=O)(=O)c1ccc(C(=O)O)s1)c1ccncc1.
What is the InChIKey of 5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is GELVXMPLPLOPLX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-8(9-4-6-13-7-5-9)14-20(17,18)11-3-2-10(19-11)12(15)16/h2-8,14H,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of 5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid?
5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 81404136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).