3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid

C8H11NO6S2 — CID 171877776

IUPAC3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid
SMILESNS(=O)(=O)c1ccc(C(O)C(O)CC(=O)O)s1
InChIInChI=1S/C8H11NO6S2/c9-17(14,15)7-2-1-5(16-7)8(13)4(10)3-6(11)12/h1-2,4,8,10,13H,3H2,(H,11,12)(H2,9,14,15)
InChIKeySCMCVNMBTFIYMF-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.74
Rot. Bonds5

About 3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid

3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid (PubChem CID 171877776) has the molecular formula C8H11NO6S2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid.

Molecular Properties

Compound Name3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid
PubChem CID171877776
Molecular FormulaC8H11NO6S2
Molecular Weight281.31 g/mol
Exact Mass281.00
IUPAC Name3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid
SMILESNS(=O)(=O)c1ccc(C(O)C(O)CC(=O)O)s1
InChIInChI=1S/C8H11NO6S2/c9-17(14,15)7-2-1-5(16-7)8(13)4(10)3-6(11)12/h1-2,4,8,10,13H,3H2,(H,11,12)(H2,9,14,15)
InChIKeySCMCVNMBTFIYMF-UHFFFAOYSA-N
XLogP-0.74
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide
CID 171874193
3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide
CID 114875220
2-ethoxy-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43133916
N-[1-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133919
4-(4-fluorosulfonylphenyl)-3,4-dihydroxybutanoic acid
CID 171877991
4-(5-sulfamoylthiophen-2-yl)but-3-enoic acid
CID 170483637
5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 43134149
5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide
CID 131173158
4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246478
3,4-dihydroxy-4-(3-methylthiophen-2-yl)butanoic acid
CID 171877069
2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60758764
5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 60862958

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid?
The IUPAC name of 3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid (CID 171877776) is 3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid.
What is the SMILES notation for 3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid?
The canonical SMILES for 3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid is NS(=O)(=O)c1ccc(C(O)C(O)CC(=O)O)s1.
What is the InChIKey of 3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid?
The InChIKey is SCMCVNMBTFIYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO6S2/c9-17(14,15)7-2-1-5(16-7)8(13)4(10)3-6(11)12/h1-2,4,8,10,13H,3H2,(H,11,12)(H2,9,14,15).
What are the key properties of 3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid?
3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid has a molecular weight of 281.31 g/mol, XLogP of -0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid is sourced from PubChem (CID 171877776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).