5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid

C11H13NO3S2 — CID 81450786

IUPAC5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCC1(C(=O)Nc2ccc(C(=O)O)s2)CCCS1
InChIInChI=1S/C11H13NO3S2/c1-11(5-2-6-16-11)10(15)12-8-4-3-7(17-8)9(13)14/h3-4H,2,5-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyZCOHYYRHSMUJAT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.67
Rot. Bonds3

About 5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid

5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 81450786) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID81450786
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC Name5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCC1(C(=O)Nc2ccc(C(=O)O)s2)CCCS1
InChIInChI=1S/C11H13NO3S2/c1-11(5-2-6-16-11)10(15)12-8-4-3-7(17-8)9(13)14/h3-4H,2,5-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyZCOHYYRHSMUJAT-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid (CID 81450786) is 5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid is CC1(C(=O)Nc2ccc(C(=O)O)s2)CCCS1.
What is the InChIKey of 5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is ZCOHYYRHSMUJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S2/c1-11(5-2-6-16-11)10(15)12-8-4-3-7(17-8)9(13)14/h3-4H,2,5-6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid?
5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylthiolane-2-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 81450786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).