methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C14H17NO4S — CID 2861929

IUPACmethyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCC2
InChIInChI=1S/C14H17NO4S/c1-18-14(17)11-8-4-2-6-10(8)20-13(11)15-12(16)9-5-3-7-19-9/h9H,2-7H2,1H3,(H,15,16)
InChIKeyBJKNNDAQWOQRHL-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.14
Rot. Bonds3

About methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 2861929) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID2861929
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Namemethyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCC2
InChIInChI=1S/C14H17NO4S/c1-18-14(17)11-8-4-2-6-10(8)20-13(11)15-12(16)9-5-3-7-19-9/h9H,2-7H2,1H3,(H,15,16)
InChIKeyBJKNNDAQWOQRHL-UHFFFAOYSA-N
XLogP2.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 3000068
Methyl 4-(3-methylphenyl)-2-[(tetrahydro-2-furanylcarbonyl)amino]-3-thiophenecarboxylate
CID 2971567
Ethyl 4,5-dimethyl-2-(oxolan-2-ylcarbonylamino)thiophene-3-carboxylate
CID 3138739
Ethyl 4,5-dimethyl-2-[[2-(2-methylcyclopropanecarbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 4456612
ethyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2791251
ethyl 2-[(methoxycarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2862852
2-Methyl 4-propyl 3-methyl-5-[(tetrahydro-2-furanylcarbonyl)amino]-2,4-thiophenedicarboxylate
CID 4162216
Methyl 4-(4-fluorophenyl)-2-[(tetrahydro-2-furanylcarbonyl)amino]-3-thiophenecarboxylate
CID 2931989
Ethyl 2-[(ethoxyacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1825628
ethyl 2-[(propoxycarbonyl)amino]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
CID 2787359
ethyl 2-[(N,N-diethylglycyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2860266
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)oxolane-2-carboxamide
CID 2970466

Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 2861929) is methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCC2.
What is the InChIKey of methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is BJKNNDAQWOQRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-18-14(17)11-8-4-2-6-10(8)20-13(11)15-12(16)9-5-3-7-19-9/h9H,2-7H2,1H3,(H,15,16).
What are the key properties of methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 295.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 2861929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).