(2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C14H18F3NOS — CID 164725572

IUPAC(2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESC[C@@H]1CC2(C[C@H](C)N1)OCCc1sc(C(F)(F)F)cc12
InChIInChI=1S/C14H18F3NOS/c1-8-6-13(7-9(2)18-8)10-5-12(14(15,16)17)20-11(10)3-4-19-13/h5,8-9,18H,3-4,6-7H2,1-2H3/t8-,9+,13?
InChIKeyJGEKDRHJSXAIQU-PHXKMMTBSA-N
MW305.37 g/mol
LogP3.70
Rot. Bonds

About (2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

(2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 164725572) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is (2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name(2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID164725572
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name(2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESC[C@@H]1CC2(C[C@H](C)N1)OCCc1sc(C(F)(F)F)cc12
InChIInChI=1S/C14H18F3NOS/c1-8-6-13(7-9(2)18-8)10-5-12(14(15,16)17)20-11(10)3-4-19-13/h5,8-9,18H,3-4,6-7H2,1-2H3/t8-,9+,13?
InChIKeyJGEKDRHJSXAIQU-PHXKMMTBSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] with MolForge

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Related Compounds

(2'S,7R)-2'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169139778
(2'S,7R)-1'-deuterio-2'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 175952949
2'-methyl-6'-(1-methyltriazol-4-yl)-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 171572117
[2',6'-dimethyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-3-yl]methanol
CID 175697223
(2'S)-2-(2,2-difluoroethyl)-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139228
(2'S,4S,6'S)-2-chloro-2'-methyl-6'-(1-methyltriazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 164725841
2-ethyl-2'-methyl-6'-[1-(2-methylsulfonylethyl)pyrazol-4-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 164725502
2-bromospiro[6,7-dihydrothieno[3,2-c]pyran-4,1'-cyclopentane]
CID 117273978
(2'S,6'S,7S)-2-chloro-2'-methyl-6'-[6-(trifluoromethyl)-3-pyridinyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164725721
(2'S,6'S,7S)-2-chloro-2'-methyl-6'-[5-(trifluoromethyl)-1H-imidazol-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 167024285
(2'S,6'S,7S)-2-chloro-2'-cyclopropyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164725563
(2'S,4S,6'S,7S)-2'-[(Z)-1-hydrazinyl-2-(methylamino)ethenyl]-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 176945748

Frequently Asked Questions

What is the IUPAC name of (2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of (2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 164725572) is (2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for (2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for (2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is C[C@@H]1CC2(C[C@H](C)N1)OCCc1sc(C(F)(F)F)cc12.
What is the InChIKey of (2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is JGEKDRHJSXAIQU-PHXKMMTBSA-N. The full InChI is InChI=1S/C14H18F3NOS/c1-8-6-13(7-9(2)18-8)10-5-12(14(15,16)17)20-11(10)3-4-19-13/h5,8-9,18H,3-4,6-7H2,1-2H3/t8-,9+,13?.
What are the key properties of (2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
(2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 305.37 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,6'R)-2',6'-dimethyl-2-(trifluoromethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 164725572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).