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

C11H17NOS2 — CID 103906920

IUPAC(2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
SMILESC[C@@H](O)CNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C11H17NOS2/c1-7(13)6-12-10-5-8(2)15-11-9(10)3-4-14-11/h3-4,7-8,10,12-13H,5-6H2,1-2H3/t7-,8+,10?/m1/s1
InChIKeyMGFZKEJZAJEXRK-HHCGNCNQSA-N
MW243.40 g/mol
LogP2.64
Rot. Bonds3

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

(2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol (PubChem CID 103906920) has the molecular formula C11H17NOS2 and a molecular weight of 243.40 g/mol. Its IUPAC name is (2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
PubChem CID103906920
Molecular FormulaC11H17NOS2
Molecular Weight243.40 g/mol
Exact Mass243.08
IUPAC Name(2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol
SMILESC[C@@H](O)CNC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C11H17NOS2/c1-7(13)6-12-10-5-8(2)15-11-9(10)3-4-14-11/h3-4,7-8,10,12-13H,5-6H2,1-2H3/t7-,8+,10?/m1/s1
InChIKeyMGFZKEJZAJEXRK-HHCGNCNQSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol (CID 103906920) is (2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol is C[C@@H](O)CNC1C[C@H](C)Sc2sccc21.
What is the InChIKey of (2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol?
The InChIKey is MGFZKEJZAJEXRK-HHCGNCNQSA-N. The full InChI is InChI=1S/C11H17NOS2/c1-7(13)6-12-10-5-8(2)15-11-9(10)3-4-14-11/h3-4,7-8,10,12-13H,5-6H2,1-2H3/t7-,8+,10?/m1/s1.
What are the key properties of (2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol?
(2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol has a molecular weight of 243.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(6S)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]amino]propan-2-ol is sourced from PubChem (CID 103906920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).