2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid

C10H8N2O4S2 — CID 106265822

IUPAC2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid
SMILESC#CCC(NS(=O)(=O)c1ccc(C#N)s1)C(=O)O
InChIInChI=1S/C10H8N2O4S2/c1-2-3-8(10(13)14)12-18(15,16)9-5-4-7(6-11)17-9/h1,4-5,8,12H,3H2,(H,13,14)
InChIKeyIJNLIXCHBYTPJR-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.37
Rot. Bonds5

About 2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid

2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid (PubChem CID 106265822) has the molecular formula C10H8N2O4S2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid.

Molecular Properties

Compound Name2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid
PubChem CID106265822
Molecular FormulaC10H8N2O4S2
Molecular Weight284.32 g/mol
Exact Mass283.99
IUPAC Name2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid
SMILESC#CCC(NS(=O)(=O)c1ccc(C#N)s1)C(=O)O
InChIInChI=1S/C10H8N2O4S2/c1-2-3-8(10(13)14)12-18(15,16)9-5-4-7(6-11)17-9/h1,4-5,8,12H,3H2,(H,13,14)
InChIKeyIJNLIXCHBYTPJR-UHFFFAOYSA-N
XLogP0.37
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic 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

(2R)-2-[(5-cyanothiophen-2-yl)sulfonylamino]butanoic acid
CID 106265686
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 114165907
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-5-methoxy-5-oxopentanoic acid
CID 106265938
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 106265324
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylpropanoic acid
CID 106265542
4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760
(2R)-2-[(4-methylphenyl)sulfonylamino]pent-4-ynoic acid
CID 10978432
5-cyano-N-hex-1-yn-3-ylthiophene-2-sulfonamide
CID 106269838
2-[(5-cyanothiophen-2-yl)sulfonylamino]-2-cyclohexylacetic acid
CID 106265465
5-cyano-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 106269433
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
2-[(5-cyanothiophen-2-yl)sulfonylamino]-3-methylbutanamide
CID 106345606

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid?
The IUPAC name of 2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid (CID 106265822) is 2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid.
What is the SMILES notation for 2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid?
The canonical SMILES for 2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid is C#CCC(NS(=O)(=O)c1ccc(C#N)s1)C(=O)O.
What is the InChIKey of 2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid?
The InChIKey is IJNLIXCHBYTPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4S2/c1-2-3-8(10(13)14)12-18(15,16)9-5-4-7(6-11)17-9/h1,4-5,8,12H,3H2,(H,13,14).
What are the key properties of 2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid?
2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid has a molecular weight of 284.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanothiophen-2-yl)sulfonylamino]pent-4-ynoic acid is sourced from PubChem (CID 106265822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).