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

C15H20F3NS2 — CID 81296658

IUPAC(6S)-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NC2CCCC(C(F)(F)F)C2)c2ccsc2S1
InChIInChI=1S/C15H20F3NS2/c1-9-7-13(12-5-6-20-14(12)21-9)19-11-4-2-3-10(8-11)15(16,17)18/h5-6,9-11,13,19H,2-4,7-8H2,1H3/t9-,10?,11?,13?/m0/s1
InChIKeyDETFWVAOIOGQIO-UZJKLBMHSA-N
MW335.46 g/mol
LogP5.38
Rot. Bonds2

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

(6S)-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 81296658) has the molecular formula C15H20F3NS2 and a molecular weight of 335.46 g/mol. Its IUPAC name is (6S)-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID81296658
Molecular FormulaC15H20F3NS2
Molecular Weight335.46 g/mol
Exact Mass335.10
IUPAC Name(6S)-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NC2CCCC(C(F)(F)F)C2)c2ccsc2S1
InChIInChI=1S/C15H20F3NS2/c1-9-7-13(12-5-6-20-14(12)21-9)19-11-4-2-3-10(8-11)15(16,17)18/h5-6,9-11,13,19H,2-4,7-8H2,1H3/t9-,10?,11?,13?/m0/s1
InChIKeyDETFWVAOIOGQIO-UZJKLBMHSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.46
LogP ≤ 55.38
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-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 81296658) is (6S)-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is C[C@H]1CC(NC2CCCC(C(F)(F)F)C2)c2ccsc2S1.
What is the InChIKey of (6S)-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is DETFWVAOIOGQIO-UZJKLBMHSA-N. The full InChI is InChI=1S/C15H20F3NS2/c1-9-7-13(12-5-6-20-14(12)21-9)19-11-4-2-3-10(8-11)15(16,17)18/h5-6,9-11,13,19H,2-4,7-8H2,1H3/t9-,10?,11?,13?/m0/s1.
What are the key properties of (6S)-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-6-methyl-N-[3-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 335.46 g/mol, XLogP of 5.38, 2 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-(trifluoromethyl)cyclohexyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 81296658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).