(6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

C11H14F3NS2 — CID 81343936

IUPAC(6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NCCC(F)(F)F)c2ccsc2S1
InChIInChI=1S/C11H14F3NS2/c1-7-6-9(15-4-3-11(12,13)14)8-2-5-16-10(8)17-7/h2,5,7,9,15H,3-4,6H2,1H3/t7-,9?/m0/s1
InChIKeyPYJSVANWMPAQKC-JAVCKPHESA-N
MW281.37 g/mol
LogP4.22
Rot. Bonds3

About (6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

(6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 81343936) has the molecular formula C11H14F3NS2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID81343936
Molecular FormulaC11H14F3NS2
Molecular Weight281.37 g/mol
Exact Mass281.05
IUPAC Name(6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NCCC(F)(F)F)c2ccsc2S1
InChIInChI=1S/C11H14F3NS2/c1-7-6-9(15-4-3-11(12,13)14)8-2-5-16-10(8)17-7/h2,5,7,9,15H,3-4,6H2,1H3/t7-,9?/m0/s1
InChIKeyPYJSVANWMPAQKC-JAVCKPHESA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 81343936) is (6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is C[C@H]1CC(NCCC(F)(F)F)c2ccsc2S1.
What is the InChIKey of (6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is PYJSVANWMPAQKC-JAVCKPHESA-N. The full InChI is InChI=1S/C11H14F3NS2/c1-7-6-9(15-4-3-11(12,13)14)8-2-5-16-10(8)17-7/h2,5,7,9,15H,3-4,6H2,1H3/t7-,9?/m0/s1.
What are the key properties of (6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 281.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 81343936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).