5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid

C9H13NO6S2 — CID 66170587

IUPAC5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC(O)CO)sc1C(=O)O
InChIInChI=1S/C9H13NO6S2/c1-5-2-7(17-8(5)9(13)14)18(15,16)10-3-6(12)4-11/h2,6,10-12H,3-4H2,1H3,(H,13,14)
InChIKeyNCAPSQQFFCJSNS-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.61
Rot. Bonds6

About 5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid

5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid (PubChem CID 66170587) has the molecular formula C9H13NO6S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
PubChem CID66170587
Molecular FormulaC9H13NO6S2
Molecular Weight295.34 g/mol
Exact Mass295.02
IUPAC Name5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC(O)CO)sc1C(=O)O
InChIInChI=1S/C9H13NO6S2/c1-5-2-7(17-8(5)9(13)14)18(15,16)10-3-6(12)4-11/h2,6,10-12H,3-4H2,1H3,(H,13,14)
InChIKeyNCAPSQQFFCJSNS-UHFFFAOYSA-N
XLogP-0.61
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 63296460
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903686
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311185
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407
5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
3-methyl-5-(2-methylpropoxysulfamoyl)thiophene-2-carboxylic acid
CID 82706091
3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
3-methyl-5-(5-methylhexylsulfamoyl)thiophene-2-carboxylic acid
CID 115325049
3-methyl-5-(2-pyridin-2-ylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 167804098
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
CID 66171444
5-(2-cyanoethylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 55102481

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid (CID 66170587) is 5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NCC(O)CO)sc1C(=O)O.
What is the InChIKey of 5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid?
The InChIKey is NCAPSQQFFCJSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO6S2/c1-5-2-7(17-8(5)9(13)14)18(15,16)10-3-6(12)4-11/h2,6,10-12H,3-4H2,1H3,(H,13,14).
What are the key properties of 5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid?
5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of -0.61, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 66170587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).