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

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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).