4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid

C12H15NO4S — CID 28858400

IUPAC4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)[C@@H]2CCCO2)c(C(=O)O)c1C
InChIInChI=1S/C12H15NO4S/c1-6-7(2)18-11(9(6)12(15)16)13-10(14)8-4-3-5-17-8/h8H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyJDSDQXTZILXAAF-QMMMGPOBSA-N
MW269.32 g/mol
LogP2.18
Rot. Bonds3

About 4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid

4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid (PubChem CID 28858400) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid
PubChem CID28858400
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)[C@@H]2CCCO2)c(C(=O)O)c1C
InChIInChI=1S/C12H15NO4S/c1-6-7(2)18-11(9(6)12(15)16)13-10(14)8-4-3-5-17-8/h8H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyJDSDQXTZILXAAF-QMMMGPOBSA-N
XLogP2.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-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

Related Compounds

4,5-dimethyl-2-(oxane-2-carbonylamino)thiophene-3-carboxylic acid
CID 55047609
dimethyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate
CID 2862167
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)oxolane-2-carboxamide
CID 2970640
ethyl 4-carbamoyl-3-methyl-5-[[(2R)-oxolane-2-carbonyl]amino]thiophene-2-carboxylate
CID 1221817
ethyl 5-carbamoyl-4-methyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
CID 2932484
ethyl 5-carbamoyl-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]thiophene-3-carboxylate
CID 897989
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
methyl 4-(4-bromophenyl)-5-methyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
CID 45154360
4,5-dimethyl-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 82731124
N-[3-carbamoyl-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]oxolane-2-carboxamide
CID 17173891
4,5-dimethyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113965
2-(cyclobutylmethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63114078

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid (CID 28858400) is 4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid is Cc1sc(NC(=O)[C@@H]2CCCO2)c(C(=O)O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid?
The InChIKey is JDSDQXTZILXAAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-6-7(2)18-11(9(6)12(15)16)13-10(14)8-4-3-5-17-8/h8H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1.
What are the key properties of 4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid?
4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[(2S)-oxolane-2-carbonyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 28858400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).