2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid

C11H14N2O4S2 — CID 81222543

IUPAC2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid
SMILESCC(C)(SCC(=O)NNC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C11H14N2O4S2/c1-11(2,10(16)17)19-6-8(14)12-13-9(15)7-4-3-5-18-7/h3-5H,6H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyDFHKGMPLQOQXGN-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.11
Rot. Bonds5

About 2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid

2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid (PubChem CID 81222543) has the molecular formula C11H14N2O4S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid
PubChem CID81222543
Molecular FormulaC11H14N2O4S2
Molecular Weight302.38 g/mol
Exact Mass302.04
IUPAC Name2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid
SMILESCC(C)(SCC(=O)NNC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C11H14N2O4S2/c1-11(2,10(16)17)19-6-8(14)12-13-9(15)7-4-3-5-18-7/h3-5H,6H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyDFHKGMPLQOQXGN-UHFFFAOYSA-N
XLogP1.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic 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

N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 43249305
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 66137028
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
N-(2,4-dimethylphenyl)-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylacetamide
CID 7979282
N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339
N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide
CID 9479389
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
N'-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 4808652
N'-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CID 2563953
N'-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 9479279
N'-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]thiophene-2-carbohydrazide
CID 5199833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid?
The IUPAC name of 2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid (CID 81222543) is 2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid is CC(C)(SCC(=O)NNC(=O)c1cccs1)C(=O)O.
What is the InChIKey of 2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid?
The InChIKey is DFHKGMPLQOQXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S2/c1-11(2,10(16)17)19-6-8(14)12-13-9(15)7-4-3-5-18-7/h3-5H,6H2,1-2H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid?
2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid has a molecular weight of 302.38 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]sulfanylpropanoic acid is sourced from PubChem (CID 81222543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).