(2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol

C14H19F2NO2S — CID 169139510

IUPAC(2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol
SMILESCc1cc2c(s1)C1(CCN[C@@H](C)C1)OCC2(O)C(F)F
InChIInChI=1S/C14H19F2NO2S/c1-8-6-13(3-4-17-8)11-10(5-9(2)20-11)14(18,7-19-13)12(15)16/h5,8,12,17-18H,3-4,6-7H2,1-2H3/t8-,13?,14?/m0/s1
InChIKeyDPMGYJQJJOLESK-AHOQVSSZSA-N
MW303.37 g/mol
LogP2.51
Rot. Bonds1

About (2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol

(2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol (PubChem CID 169139510) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is (2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol.

Molecular Properties

Compound Name(2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol
PubChem CID169139510
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name(2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol
SMILESCc1cc2c(s1)C1(CCN[C@@H](C)C1)OCC2(O)C(F)F
InChIInChI=1S/C14H19F2NO2S/c1-8-6-13(3-4-17-8)11-10(5-9(2)20-11)14(18,7-19-13)12(15)16/h5,8,12,17-18H,3-4,6-7H2,1-2H3/t8-,13?,14?/m0/s1
InChIKeyDPMGYJQJJOLESK-AHOQVSSZSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol with MolForge

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Related Compounds

(2'S,7R)-2-chloro-4-(difluoromethyl)-2'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol;hydrochloride
CID 176655605
(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169140653
(2'S)-2-(2,2-difluoroethyl)-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139228
(2'S,7R)-2'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169139778
(2'S,7R)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonitrile
CID 169139950
(1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
CID 169138061
(2'S)-2-methyl-2'-(3-methyl-1,2-dihydrotriazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169137695
(2'S,7R)-1'-deuterio-2'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 175952949
2-methyl-4-propan-2-ylpiperidin-4-ol
CID 83815565
2-[(2'S,4R)-2,2'-dimethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]cyclopentan-1-ol
CID 170128414
2-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 83815193
(2,5-dimethylthiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913948

Frequently Asked Questions

What is the IUPAC name of (2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
The IUPAC name of (2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol (CID 169139510) is (2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol.
What is the SMILES notation for (2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
The canonical SMILES for (2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol is Cc1cc2c(s1)C1(CCN[C@@H](C)C1)OCC2(O)C(F)F.
What is the InChIKey of (2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
The InChIKey is DPMGYJQJJOLESK-AHOQVSSZSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-8-6-13(3-4-17-8)11-10(5-9(2)20-11)14(18,7-19-13)12(15)16/h5,8,12,17-18H,3-4,6-7H2,1-2H3/t8-,13?,14?/m0/s1.
What are the key properties of (2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
(2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol has a molecular weight of 303.37 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S)-4-(difluoromethyl)-2,2'-dimethylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol is sourced from PubChem (CID 169139510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).