ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C12H15NO4S — CID 2862852

IUPACethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)OC)sc2c1CCC2
InChIInChI=1S/C12H15NO4S/c1-3-17-11(14)9-7-5-4-6-8(7)18-10(9)13-12(15)16-2/h3-6H2,1-2H3,(H,13,15)
InChIKeyQSNOFQKVGKRDJK-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.59
Rot. Bonds3

About ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 2862852) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID2862852
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Nameethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)OC)sc2c1CCC2
InChIInChI=1S/C12H15NO4S/c1-3-17-11(14)9-7-5-4-6-8(7)18-10(9)13-12(15)16-2/h3-6H2,1-2H3,(H,13,15)
InChIKeyQSNOFQKVGKRDJK-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
CID 264105
Ethyl 2-[(aminocarbonyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
CID 671916
2-Acetylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
CID 98682
methyl 2-amino-4H,5H,6H-cyclopenta(b)thiophene-3-carboxylate
CID 2818378
2-Ethyl 4-methyl 5-[(methoxycarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
CID 1246494
Ethyl 2-[(2-thienylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 391239
propyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1714051
ethyl 2-(oxolane-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2791251
methyl 2-[(tetrahydro-2-furanylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2861929
4-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
CID 2862686
methyl 2-(acetylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 2932594
methyl 2-(methylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 3594117

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 2862852) is ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)OC)sc2c1CCC2.
What is the InChIKey of ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is QSNOFQKVGKRDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-3-17-11(14)9-7-5-4-6-8(7)18-10(9)13-12(15)16-2/h3-6H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 269.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxycarbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 2862852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).