[2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate

C14H19NO4S2 — CID 97020215

IUPAC[2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate
SMILESCOC[C@@H](C)NC(=O)COC(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H19NO4S2/c1-9(6-18-2)15-13(16)7-19-14(17)12-5-10-8-20-4-3-11(10)21-12/h5,9H,3-4,6-8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyLCHFUEKIPZVBHT-SECBINFHSA-N
MW329.44 g/mol
LogP1.85
Rot. Bonds6

About [2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate

[2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate (PubChem CID 97020215) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate.

Molecular Properties

Compound Name[2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate
PubChem CID97020215
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name[2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate
SMILESCOC[C@@H](C)NC(=O)COC(=O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H19NO4S2/c1-9(6-18-2)15-13(16)7-19-14(17)12-5-10-8-20-4-3-11(10)21-12/h5,9H,3-4,6-8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyLCHFUEKIPZVBHT-SECBINFHSA-N
XLogP1.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate with MolForge

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanone
CID 115783386
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 2668987
[2-oxo-2-(propan-2-ylamino)ethyl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7291855
N-(2-bromo-3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 113274560
N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 78800338
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18169787
N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 113351917
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)propanoic acid
CID 81267842
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7352102
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 7352101
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate
CID 71849545
N-(1-chloro-3-methylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114305649

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate?
The IUPAC name of [2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate (CID 97020215) is [2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate.
What is the SMILES notation for [2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate?
The canonical SMILES for [2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate is COC[C@@H](C)NC(=O)COC(=O)c1cc2c(s1)CCSC2.
What is the InChIKey of [2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate?
The InChIKey is LCHFUEKIPZVBHT-SECBINFHSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-9(6-18-2)15-13(16)7-19-14(17)12-5-10-8-20-4-3-11(10)21-12/h5,9H,3-4,6-8H2,1-2H3,(H,15,16)/t9-/m1/s1.
What are the key properties of [2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate?
[2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate is sourced from PubChem (CID 97020215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).