2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol

C19H27F2NO2S — CID 170128756

IUPAC2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol
SMILESC[C@H]1C[C@@]2(CCN1C1CCCC1O)OCCc1cc(CC(F)F)sc12
InChIInChI=1S/C19H27F2NO2S/c1-12-11-19(6-7-22(12)15-3-2-4-16(15)23)18-13(5-8-24-19)9-14(25-18)10-17(20)21/h9,12,15-17,23H,2-8,10-11H2,1H3/t12-,15?,16?,19+/m0/s1
InChIKeyVDGFDDLVRLNQPL-OPXIUPAWSA-N
MW371.49 g/mol
LogP3.72
Rot. Bonds3

About 2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol

2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol (PubChem CID 170128756) has the molecular formula C19H27F2NO2S and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol
PubChem CID170128756
Molecular FormulaC19H27F2NO2S
Molecular Weight371.49 g/mol
Exact Mass371.17
IUPAC Name2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol
SMILESC[C@H]1C[C@@]2(CCN1C1CCCC1O)OCCc1cc(CC(F)F)sc12
InChIInChI=1S/C19H27F2NO2S/c1-12-11-19(6-7-22(12)15-3-2-4-16(15)23)18-13(5-8-24-19)9-14(25-18)10-17(20)21/h9,12,15-17,23H,2-8,10-11H2,1H3/t12-,15?,16?,19+/m0/s1
InChIKeyVDGFDDLVRLNQPL-OPXIUPAWSA-N
XLogP3.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol with MolForge

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Related Compounds

4-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]oxan-4-ol
CID 170128798
(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169140653
5-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]pyrrolidin-2-one
CID 170128849
2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol
CID 170128414
3-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2-hydroxy-N-methylpropanamide
CID 169138579
N-[3-[[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 169140045
2-[2-(2,2-difluoroethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-1-(3,4-difluorophenyl)ethanol
CID 169139665
1-[(2'S,7R)-2-chloro-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2,2,2-trifluoroethanone
CID 169140386
(2'S)-2-(2,2-difluoroethyl)-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139228
2-(2-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 60974161
N-[4-[[(2'S,7R)-2-chloro-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]phenyl]acetamide
CID 170128898
trans-(1S,2S)-2-(2-methylpiperidin-1-yl)cyclopentan-1-ol
CID 102734292

Frequently Asked Questions

What is the IUPAC name of 2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol?
The IUPAC name of 2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol (CID 170128756) is 2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol is C[C@H]1C[C@@]2(CCN1C1CCCC1O)OCCc1cc(CC(F)F)sc12.
What is the InChIKey of 2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol?
The InChIKey is VDGFDDLVRLNQPL-OPXIUPAWSA-N. The full InChI is InChI=1S/C19H27F2NO2S/c1-12-11-19(6-7-22(12)15-3-2-4-16(15)23)18-13(5-8-24-19)9-14(25-18)10-17(20)21/h9,12,15-17,23H,2-8,10-11H2,1H3/t12-,15?,16?,19+/m0/s1.
What are the key properties of 2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol?
2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol has a molecular weight of 371.49 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]cyclopentan-1-ol is sourced from PubChem (CID 170128756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).