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

C16H20N2O4S2 — CID 120792632

IUPACethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate
SMILESCCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C16H20N2O4S2/c1-2-21-16(20)14-10(13-12(24-14)5-6-23-13)8-18-15(19)11-4-3-9(7-17)22-11/h5-6,9,11H,2-4,7-8,17H2,1H3,(H,18,19)/t9-,11+/m1/s1
InChIKeyBYNRYZBRBYSUPS-KOLCDFICSA-N
MW368.48 g/mol
LogP2.26
Rot. Bonds6

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

ethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate (PubChem CID 120792632) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is ethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate
PubChem CID120792632
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Nameethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate
SMILESCCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C16H20N2O4S2/c1-2-21-16(20)14-10(13-12(24-14)5-6-23-13)8-18-15(19)11-4-3-9(7-17)22-11/h5-6,9,11H,2-4,7-8,17H2,1H3,(H,18,19)/t9-,11+/m1/s1
InChIKeyBYNRYZBRBYSUPS-KOLCDFICSA-N
XLogP2.26
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 6-[[[(3R)-oxolane-3-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate
CID 95318798
ethyl 6-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate;hydrochloride
CID 120792633
ethyl 6-[[[4-(aminomethyl)oxane-4-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate
CID 120931770
ethyl 4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]benzoate
CID 120782848
(2S,5R)-5-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)oxolane-2-carboxamide
CID 120784128
(2S,5R)-5-(aminomethyl)-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796035
(2S,5R)-5-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786721
ethyl 6-[[(2-chloro-4-nitrobenzoyl)amino]methyl]thieno[3,2-b]thiophene-5-carboxylate
CID 154857541
(2S,5R)-5-(aminomethyl)-N-[(4-tert-butylphenyl)methyl]oxolane-2-carboxamide
CID 120785936
(2S,5R)-5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120783134
(2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120801327
(2S,5R)-5-(aminomethyl)-N-[(2-bromo-5-methoxyphenyl)methyl]oxolane-2-carboxamide
CID 120788732

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate?
The IUPAC name of ethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate (CID 120792632) is ethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate.
What is the SMILES notation for ethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate?
The canonical SMILES for ethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate is CCOC(=O)c1sc2ccsc2c1CNC(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of ethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate?
The InChIKey is BYNRYZBRBYSUPS-KOLCDFICSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-2-21-16(20)14-10(13-12(24-14)5-6-23-13)8-18-15(19)11-4-3-9(7-17)22-11/h5-6,9,11H,2-4,7-8,17H2,1H3,(H,18,19)/t9-,11+/m1/s1.
What are the key properties of ethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate?
ethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate has a molecular weight of 368.48 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]thieno[3,2-b]thiophene-5-carboxylate is sourced from PubChem (CID 120792632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).