ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate

C15H17NO4S2 — CID 95318798

IUPACethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate
SMILESCCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H]1CCOC1
InChIInChI=1S/C15H17NO4S2/c1-2-20-15(18)13-10(12-11(22-13)4-6-21-12)7-16-14(17)9-3-5-19-8-9/h4,6,9H,2-3,5,7-8H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyRMGSAGXVRIBHPX-SECBINFHSA-N
MW339.44 g/mol
LogP2.79
Rot. Bonds5

About ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate

ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate (PubChem CID 95318798) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate
PubChem CID95318798
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Nameethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate
SMILESCCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H]1CCOC1
InChIInChI=1S/C15H17NO4S2/c1-2-20-15(18)13-10(12-11(22-13)4-6-21-12)7-16-14(17)9-3-5-19-8-9/h4,6,9H,2-3,5,7-8H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyRMGSAGXVRIBHPX-SECBINFHSA-N
XLogP2.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate with MolForge

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Related Compounds

Ethyl 3-(aminomethyl)thieno[3,2-b]thiophene-2-carboxylate
CID 50988248
Ethyl 6-[[(2-cyano-2-methylpropanoyl)amino]methyl]thieno[3,2-b]thiophene-5-carboxylate
CID 53616349
Ethyl 6-[(propanoylamino)methyl]thieno[3,2-b]thiophene-5-carboxylate
CID 53585428
Ethyl 6-[[(2-methoxyacetyl)amino]methyl]thieno[3,2-b]thiophene-5-carboxylate
CID 53594840
Ethyl 6-[(3-methoxypropanoylamino)methyl]thieno[3,2-b]thiophene-5-carboxylate
CID 53602336
Ethyl 6-[(2-methoxypropanoylamino)methyl]thieno[3,2-b]thiophene-5-carboxylate
CID 53611187
Methyl 4-fluoro-3-[(oxolane-3-carbonylamino)methyl]-1-benzothiophene-2-carboxylate
CID 56783090
Ethyl 3-(aminomethyl)thieno[3,2-b]thiophene-2-carboxylate hydrochloride
CID 50988247
methyl 4-fluoro-3-[[[(3R)-oxolane-3-carbonyl]amino]methyl]-1-benzothiophene-2-carboxylate
CID 95615859
methyl 4-fluoro-3-[[[(3S)-oxolane-3-carbonyl]amino]methyl]-1-benzothiophene-2-carboxylate
CID 95615860
Ethyl 6-[[(4,4-difluoropyrrolidine-2-carbonyl)amino]methyl]thieno[3,2-b]thiophene-5-carboxylate;hydrochloride
CID 120349731
Ethyl 6-[[(4,4-difluoropyrrolidine-2-carbonyl)amino]methyl]thieno[3,2-b]thiophene-5-carboxylate
CID 120349732

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate?
The IUPAC name of ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate (CID 95318798) is ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate.
What is the SMILES notation for ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate?
The canonical SMILES for ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate is CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H]1CCOC1.
What is the InChIKey of ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate?
The InChIKey is RMGSAGXVRIBHPX-SECBINFHSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-2-20-15(18)13-10(12-11(22-13)4-6-21-12)7-16-14(17)9-3-5-19-8-9/h4,6,9H,2-3,5,7-8H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate?
ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate is sourced from PubChem (CID 95318798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).