3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid

C12H12N2O4S2 — CID 51681297

IUPAC3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@H](NS(=O)(=O)c1ccsc1C(=O)O)c1ccncc1
InChIInChI=1S/C12H12N2O4S2/c1-8(9-2-5-13-6-3-9)14-20(17,18)10-4-7-19-11(10)12(15)16/h2-8,14H,1H3,(H,15,16)/t8-/m0/s1
InChIKeyKCDSGIMKNIQTGX-QMMMGPOBSA-N
MW312.37 g/mol
LogP1.88
Rot. Bonds5

About 3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid

3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 51681297) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID51681297
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESC[C@H](NS(=O)(=O)c1ccsc1C(=O)O)c1ccncc1
InChIInChI=1S/C12H12N2O4S2/c1-8(9-2-5-13-6-3-9)14-20(17,18)10-4-7-19-11(10)12(15)16/h2-8,14H,1H3,(H,15,16)/t8-/m0/s1
InChIKeyKCDSGIMKNIQTGX-QMMMGPOBSA-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

3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81354448
3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 54950851
2,4-dichloro-5-(1-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 45412910
5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81404136
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-[[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 25358247
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766
3-[methyl-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]amino]propanoic acid
CID 81404403
5-methyl-4-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 81394759
5-amino-2,4-difluoro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 43523979
3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid (CID 51681297) is 3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid is C[C@H](NS(=O)(=O)c1ccsc1C(=O)O)c1ccncc1.
What is the InChIKey of 3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is KCDSGIMKNIQTGX-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-8(9-2-5-13-6-3-9)14-20(17,18)10-4-7-19-11(10)12(15)16/h2-8,14H,1H3,(H,15,16)/t8-/m0/s1.
What are the key properties of 3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid?
3-[[(1S)-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 3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 51681297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).