3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid

C8H11NO3S2 — CID 130863422

IUPAC3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid
SMILESCC(C)S(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C8H11NO3S2/c1-5(2)14(12)9-6-3-4-13-7(6)8(10)11/h3-5,9H,1-2H3,(H,10,11)
InChIKeyLTZOMSPNYWWNRP-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.93
Rot. Bonds4

About 3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid

3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid (PubChem CID 130863422) has the molecular formula C8H11NO3S2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid
PubChem CID130863422
Molecular FormulaC8H11NO3S2
Molecular Weight233.31 g/mol
Exact Mass233.02
IUPAC Name3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid
SMILESCC(C)S(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C8H11NO3S2/c1-5(2)14(12)9-6-3-4-13-7(6)8(10)11/h3-5,9H,1-2H3,(H,10,11)
InChIKeyLTZOMSPNYWWNRP-UHFFFAOYSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methanesulfinamido)thiophene-2-carboxylic acid
CID 130992646
3-(2-methylpropanoylamino)thiophene-2-carboxylic acid
CID 16773737
3-(hydroxyamino)thiophene-2-carboxylic acid
CID 87561622
3-[(2-methylsulfinylpropylamino)methyl]thiophene-2-carboxylic acid
CID 103265722
3-boronothiophene-2-carboxylic acid
CID 45074560
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
3-(3,3-dimethylbutan-2-yl)thiophene-2-carboxylic acid
CID 165454289
3-[2-(4-bromophenoxy)propanoylamino]thiophene-2-carboxylic acid
CID 43357972
3-(ethylsulfamoylamino)thiophene-2-carboxylic acid
CID 114805301
3-(3-methylbutyl)thiophene-2-carboxylic acid
CID 141207026
ethane;3-fluorothiophene-2-carboxylic acid
CID 142472741
3-acetylthiophene-2-carboxylic acid
CID 818927

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid (CID 130863422) is 3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid is CC(C)S(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid?
The InChIKey is LTZOMSPNYWWNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S2/c1-5(2)14(12)9-6-3-4-13-7(6)8(10)11/h3-5,9H,1-2H3,(H,10,11).
What are the key properties of 3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid?
3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 130863422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).