methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate

C12H15NO4S — CID 114916149

IUPACmethyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)C1CCCO1
InChIInChI=1S/C12H15NO4S/c1-7-6-18-10(12(15)16-2)9(7)13-11(14)8-4-3-5-17-8/h6,8H,3-5H2,1-2H3,(H,13,14)
InChIKeyRESNHEYVMHLRBU-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.96
Rot. Bonds3

About methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate

methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate (PubChem CID 114916149) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate
PubChem CID114916149
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Namemethyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)C1CCCO1
InChIInChI=1S/C12H15NO4S/c1-7-6-18-10(12(15)16-2)9(7)13-11(14)8-4-3-5-17-8/h6,8H,3-5H2,1-2H3,(H,13,14)
InChIKeyRESNHEYVMHLRBU-UHFFFAOYSA-N
XLogP1.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate 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-methyl-3-[[(2S)-oxolane-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 104983067
methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate
CID 3811641
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
methyl 3-[(2-aminocycloheptanecarbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114915584
dimethyl 3-methyl-5-(oxolane-2-carbonylamino)thiophene-2,4-dicarboxylate
CID 2862167
methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate
CID 114916198
methyl 4-methyl-3-(piperidine-3-carbonylamino)thiophene-2-carboxylate
CID 114915597
(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
CID 114915617
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate
CID 110280743
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate (CID 114916149) is methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)C1CCCO1.
What is the InChIKey of methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate?
The InChIKey is RESNHEYVMHLRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-7-6-18-10(12(15)16-2)9(7)13-11(14)8-4-3-5-17-8/h6,8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate?
methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate has a molecular weight of 269.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 114916149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).