3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid

C9H10N2O4S2 — CID 106265542

IUPAC3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(CNS(=O)(=O)c1ccc(C#N)s1)C(=O)O
InChIInChI=1S/C9H10N2O4S2/c1-6(9(12)13)5-11-17(14,15)8-3-2-7(4-10)16-8/h2-3,6,11H,5H2,1H3,(H,12,13)
InChIKeyGUHDNTBPGFCTNQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.62
Rot. Bonds5

About 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid

3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid (PubChem CID 106265542) has the molecular formula C9H10N2O4S2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
PubChem CID106265542
Molecular FormulaC9H10N2O4S2
Molecular Weight274.32 g/mol
Exact Mass274.01
IUPAC Name3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
SMILESCC(CNS(=O)(=O)c1ccc(C#N)s1)C(=O)O
InChIInChI=1S/C9H10N2O4S2/c1-6(9(12)13)5-11-17(14,15)8-3-2-7(4-10)16-8/h2-3,6,11H,5H2,1H3,(H,12,13)
InChIKeyGUHDNTBPGFCTNQ-UHFFFAOYSA-N
XLogP0.62
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760
2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 106265664
(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
CID 106265686
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 114165907
2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid
CID 106265822
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 106265938
5-cyano-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 106267955
5-cyano-N-[(1-propan-2-ylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 106269709
6-[(5-cyanothiophen-2-yl)sulfonylamino]-4-ethylhexanoic acid
CID 106265633
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106269433
2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide
CID 106267367

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid (CID 106265542) is 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid is CC(CNS(=O)(=O)c1ccc(C#N)s1)C(=O)O.
What is the InChIKey of 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid?
The InChIKey is GUHDNTBPGFCTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S2/c1-6(9(12)13)5-11-17(14,15)8-3-2-7(4-10)16-8/h2-3,6,11H,5H2,1H3,(H,12,13).
What are the key properties of 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid?
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid is sourced from PubChem (CID 106265542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).