1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol

C12H19NO2S2 — CID 81338146

IUPAC1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
SMILESCOCC(O)CNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C12H19NO2S2/c1-8-5-11(13-6-9(14)7-15-2)10-3-4-16-12(10)17-8/h3-4,8-9,11,13-14H,5-7H2,1-2H3/t8-,9?,11?/m0/s1
InChIKeyIDNWSDFFMOEZRY-SILCLGDVSA-N
MW273.42 g/mol
LogP2.27
Rot. Bonds5

About 1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol

1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol (PubChem CID 81338146) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
PubChem CID81338146
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC Name1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
SMILESCOCC(O)CNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C12H19NO2S2/c1-8-5-11(13-6-9(14)7-15-2)10-3-4-16-12(10)17-8/h3-4,8-9,11,13-14H,5-7H2,1-2H3/t8-,9?,11?/m0/s1
InChIKeyIDNWSDFFMOEZRY-SILCLGDVSA-N
XLogP2.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
CID 103906920
(6S)-N-(2-methoxy-2-methylpropyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103788629
(6S)-N-[3-(2-methoxyethoxy)propyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81301909
(2S)-2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]butan-1-ol
CID 104980858
3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-1-ol
CID 81301803
(6S)-N-[[2-(methoxymethyl)phenyl]methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81297042
(6S)-6-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 113348939
2-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]-1-piperidin-1-ylethanone
CID 103777424
(6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 104585069
(6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81301381
(6S)-N-(2-cyclobutylethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 103903461
(6S)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81337819

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol (CID 81338146) is 1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol is COCC(O)CNC1C[C@H](C)Sc2sccc21.
What is the InChIKey of 1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol?
The InChIKey is IDNWSDFFMOEZRY-SILCLGDVSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-8-5-11(13-6-9(14)7-15-2)10-3-4-16-12(10)17-8/h3-4,8-9,11,13-14H,5-7H2,1-2H3/t8-,9?,11?/m0/s1.
What are the key properties of 1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol?
1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol is sourced from PubChem (CID 81338146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).