5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid

C12H17NO6S2 — CID 81133871

IUPAC5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC2(O)CCOCC2)sc1C(=O)O
InChIInChI=1S/C12H17NO6S2/c1-8-6-9(20-10(8)11(14)15)21(17,18)13-7-12(16)2-4-19-5-3-12/h6,13,16H,2-5,7H2,1H3,(H,14,15)
InChIKeyWVPHVNDTDPNWNS-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.57
Rot. Bonds5

About 5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 81133871) has the molecular formula C12H17NO6S2 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID81133871
Molecular FormulaC12H17NO6S2
Molecular Weight335.40 g/mol
Exact Mass335.05
IUPAC Name5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)NCC2(O)CCOCC2)sc1C(=O)O
InChIInChI=1S/C12H17NO6S2/c1-8-6-9(20-10(8)11(14)15)21(17,18)13-7-12(16)2-4-19-5-3-12/h6,13,16H,2-5,7H2,1H3,(H,14,15)
InChIKeyWVPHVNDTDPNWNS-UHFFFAOYSA-N
XLogP0.57
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1-hydroxycyclopentyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 65105762
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 81130918
3-methyl-5-(prop-2-ynylsulfamoyl)thiophene-2-carboxylic acid
CID 43314508
3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 83005623
3-methyl-5-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609986
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzenesulfonamide
CID 56765216
5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 104654476
5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
5-[2-(dimethylamino)ethylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314407
3-methyl-5-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102903686
5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 66170587
5-[(4-amino-4-oxobutyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60863201

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 81133871) is 5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)NCC2(O)CCOCC2)sc1C(=O)O.
What is the InChIKey of 5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is WVPHVNDTDPNWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6S2/c1-8-6-9(20-10(8)11(14)15)21(17,18)13-7-12(16)2-4-19-5-3-12/h6,13,16H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyoxan-4-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 81133871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).