(2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C19H21ClFNOS — CID 169139320

IUPAC(2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC[C@H]1CC2(CCN1Cc1ccccc1F)OCCc1cc(Cl)sc12
InChIInChI=1S/C19H21ClFNOS/c1-13-11-19(18-14(6-9-23-19)10-17(20)24-18)7-8-22(13)12-15-4-2-3-5-16(15)21/h2-5,10,13H,6-9,11-12H2,1H3/t13-,19?/m0/s1
InChIKeyYCUUBDJYXVOAQZ-YTJLLHSVSA-N
MW365.90 g/mol
LogP4.99
Rot. Bonds2

About (2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

(2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 169139320) has the molecular formula C19H21ClFNOS and a molecular weight of 365.90 g/mol. Its IUPAC name is (2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name(2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID169139320
Molecular FormulaC19H21ClFNOS
Molecular Weight365.90 g/mol
Exact Mass365.10
IUPAC Name(2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESC[C@H]1CC2(CCN1Cc1ccccc1F)OCCc1cc(Cl)sc12
InChIInChI=1S/C19H21ClFNOS/c1-13-11-19(18-14(6-9-23-19)10-17(20)24-18)7-8-22(13)12-15-4-2-3-5-16(15)21/h2-5,10,13H,6-9,11-12H2,1H3/t13-,19?/m0/s1
InChIKeyYCUUBDJYXVOAQZ-YTJLLHSVSA-N
XLogP4.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.90
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-Benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25167087
1'-Benzylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70676937
1'-Benzyl-2-chloro-6-methoxyspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 25164279
1'-Benzyl-2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 70677094
1'-(p-Tolylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145985649
1'-[(4-Tert-butylphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145989260
1'-[1-[4-(Trifluoromethyl)phenyl]ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145989408
1'-(m-Tolylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145992047
1'-[2-[(2-Chlorophenyl)methyl]-3-fluoropropyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 60154196
1'-[2-[(2-Chlorophenyl)methyl]-3-methoxypropyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 60154197
2-[(2-Chlorophenyl)methyl]-3-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylpropanenitrile
CID 60154198
1'-[2-(Chloromethyl)-3-(2-chlorophenyl)propyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 60154199

Frequently Asked Questions

What is the IUPAC name of (2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of (2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 169139320) is (2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for (2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for (2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is C[C@H]1CC2(CCN1Cc1ccccc1F)OCCc1cc(Cl)sc12.
What is the InChIKey of (2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is YCUUBDJYXVOAQZ-YTJLLHSVSA-N. The full InChI is InChI=1S/C19H21ClFNOS/c1-13-11-19(18-14(6-9-23-19)10-17(20)24-18)7-8-22(13)12-15-4-2-3-5-16(15)21/h2-5,10,13H,6-9,11-12H2,1H3/t13-,19?/m0/s1.
What are the key properties of (2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
(2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 365.90 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 169139320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).