(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid

C9H10N2O4S2 — CID 106265686

IUPAC(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)O
InChIInChI=1S/C9H10N2O4S2/c1-2-7(9(12)13)11-17(14,15)8-4-3-6(5-10)16-8/h3-4,7,11H,2H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyJWZBDSPKMHFDPV-SSDOTTSWSA-N
MW274.32 g/mol
LogP0.76
Rot. Bonds5

About (2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid

(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid (PubChem CID 106265686) has the molecular formula C9H10N2O4S2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
PubChem CID106265686
Molecular FormulaC9H10N2O4S2
Molecular Weight274.32 g/mol
Exact Mass274.01
IUPAC Name(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
SMILESCC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)O
InChIInChI=1S/C9H10N2O4S2/c1-2-7(9(12)13)11-17(14,15)8-4-3-6(5-10)16-8/h3-4,7,11H,2H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyJWZBDSPKMHFDPV-SSDOTTSWSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic 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

(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-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide
CID 106345606
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
CID 106265542
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 106265324
4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760
2-[[(5-cyanothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 106265664
5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106269433
5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
CID 106266731
5-cyano-N-[(1R)-1-phenylethyl]thiophene-2-sulfonamide
CID 106269624

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid (CID 106265686) is (2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid is CC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid?
The InChIKey is JWZBDSPKMHFDPV-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10N2O4S2/c1-2-7(9(12)13)11-17(14,15)8-4-3-6(5-10)16-8/h3-4,7,11H,2H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid?
(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 106265686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).