3-(methanesulfinamido)thiophene-2-carboxylic acid

C6H7NO3S2 — CID 130992646

IUPAC3-(methanesulfinamido)thiophene-2-carboxylic acid
SMILESCS(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C6H7NO3S2/c1-12(10)7-4-2-3-11-5(4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChIKeyDIFSTXHHTRJPFK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.15
Rot. Bonds3

About 3-(methanesulfinamido)thiophene-2-carboxylic acid

3-(methanesulfinamido)thiophene-2-carboxylic acid (PubChem CID 130992646) has the molecular formula C6H7NO3S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(methanesulfinamido)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(methanesulfinamido)thiophene-2-carboxylic acid
PubChem CID130992646
Molecular FormulaC6H7NO3S2
Molecular Weight205.26 g/mol
Exact Mass204.99
IUPAC Name3-(methanesulfinamido)thiophene-2-carboxylic acid
SMILESCS(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C6H7NO3S2/c1-12(10)7-4-2-3-11-5(4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChIKeyDIFSTXHHTRJPFK-UHFFFAOYSA-N
XLogP1.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid
CID 130863422
3-(hydroxyamino)thiophene-2-carboxylic acid
CID 87561622
3-(2-methylpropanoylamino)thiophene-2-carboxylic acid
CID 16773737
3-boronothiophene-2-carboxylic acid
CID 45074560
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
3-(ethylsulfamoylamino)thiophene-2-carboxylic acid
CID 114805301
3-acetylthiophene-2-carboxylic acid
CID 818927
ethane;3-fluorothiophene-2-carboxylic acid
CID 142472741
3-(methylcarbamoyl)thiophene-2-carboxylic acid
CID 129267233
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
3-(3-methylsulfonylpropanoylamino)thiophene-2-carboxylic acid
CID 43358015
3-[(2-methylsulfinylpropylamino)methyl]thiophene-2-carboxylic acid
CID 103265722

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfinamido)thiophene-2-carboxylic acid?
The IUPAC name of 3-(methanesulfinamido)thiophene-2-carboxylic acid (CID 130992646) is 3-(methanesulfinamido)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(methanesulfinamido)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(methanesulfinamido)thiophene-2-carboxylic acid is CS(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-(methanesulfinamido)thiophene-2-carboxylic acid?
The InChIKey is DIFSTXHHTRJPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S2/c1-12(10)7-4-2-3-11-5(4)6(8)9/h2-3,7H,1H3,(H,8,9).
What are the key properties of 3-(methanesulfinamido)thiophene-2-carboxylic acid?
3-(methanesulfinamido)thiophene-2-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfinamido)thiophene-2-carboxylic acid is sourced from PubChem (CID 130992646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).