(2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol

C15H17ClN2O3S — CID 169137703

IUPAC(2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
SMILESCc1cc([C@@H]2C[C@]3(CCN2)OCC(O)c2cc(Cl)sc23)on1
InChIInChI=1S/C15H17ClN2O3S/c1-8-4-12(21-18-8)10-6-15(2-3-17-10)14-9(5-13(16)22-14)11(19)7-20-15/h4-5,10-11,17,19H,2-3,6-7H2,1H3/t10-,11?,15-/m0/s1
InChIKeyMHVWFOYOMVSGGH-VIBFFUDUSA-N
MW340.83 g/mol
LogP3.08
Rot. Bonds1

About (2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol

(2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol (PubChem CID 169137703) has the molecular formula C15H17ClN2O3S and a molecular weight of 340.83 g/mol. Its IUPAC name is (2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol.

Molecular Properties

Compound Name(2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
PubChem CID169137703
Molecular FormulaC15H17ClN2O3S
Molecular Weight340.83 g/mol
Exact Mass340.06
IUPAC Name(2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
SMILESCc1cc([C@@H]2C[C@]3(CCN2)OCC(O)c2cc(Cl)sc23)on1
InChIInChI=1S/C15H17ClN2O3S/c1-8-4-12(21-18-8)10-6-15(2-3-17-10)14-9(5-13(16)22-14)11(19)7-20-15/h4-5,10-11,17,19H,2-3,6-7H2,1H3/t10-,11?,15-/m0/s1
InChIKeyMHVWFOYOMVSGGH-VIBFFUDUSA-N
XLogP3.08
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol with MolForge

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Related Compounds

(2'S,6'S)-2-chloro-2'-methyl-6'-(1-methylpyrazol-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 177273141
(2'S,4R,7R)-2-chloro-1'-(3-hydroxybutyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 176762378
(2'S,4S,6'S,7S)-2-chloro-2'-[1-(2-hydroxy-2-methylpropyl)triazol-4-yl]-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 164725782
(2'S,4S,6'S,7S)-2-chloro-2'-[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]triazol-4-yl]-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 164725636
2-chloro-1'-(1H-pyrazol-4-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 169139225
2-chloro-2'-[1-[[4-(hydroxymethyl)phenyl]methyl]triazol-4-yl]-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 175725299
1-[(2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]-2,2,2-trifluoroethanone
CID 169137761
1-[(2'S,4S,6'S,7S)-2-chloro-2'-ethynyl-4-hydroxy-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]ethanone
CID 165070727
(2'S,4R,7R)-2-chloro-2'-methyl-1'-[(1-pyrimidin-2-ylimidazol-4-yl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 169139958
(2'S,7R)-2-chloro-4-(difluoromethyl)-2'-methylspiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-4-ol;hydrochloride
CID 176655605
2-chloro-1'-[(3-chloro-2-hydroxyphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 169140740
4-[5-[(2'S)-2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-1,2-dihydrotriazol-2-ium-3-yl]phenol
CID 169137755

Frequently Asked Questions

What is the IUPAC name of (2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
The IUPAC name of (2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol (CID 169137703) is (2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol.
What is the SMILES notation for (2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
The canonical SMILES for (2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol is Cc1cc([C@@H]2C[C@]3(CCN2)OCC(O)c2cc(Cl)sc23)on1.
What is the InChIKey of (2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
The InChIKey is MHVWFOYOMVSGGH-VIBFFUDUSA-N. The full InChI is InChI=1S/C15H17ClN2O3S/c1-8-4-12(21-18-8)10-6-15(2-3-17-10)14-9(5-13(16)22-14)11(19)7-20-15/h4-5,10-11,17,19H,2-3,6-7H2,1H3/t10-,11?,15-/m0/s1.
What are the key properties of (2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol?
(2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol has a molecular weight of 340.83 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,7S)-2-chloro-2'-(3-methyl-1,2-oxazol-5-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol is sourced from PubChem (CID 169137703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).