(2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine

C19H17NOS — CID 7319142

IUPAC(2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine
SMILESC1=C[C@H]2S[C@H](c3ccccc3)[C@@H](c3ccccc3)ON2C=C1
InChIInChI=1S/C19H17NOS/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)22-17-13-7-8-14-20(17)21-18/h1-14,17-19H/t17-,18-,19-/m1/s1
InChIKeyFEKZDSAMWLFLOF-GUDVDZBRSA-N
MW307.42 g/mol
LogP4.86
Rot. Bonds2

About (2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine

(2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine (PubChem CID 7319142) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is (2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine.

Molecular Properties

Compound Name(2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine
PubChem CID7319142
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name(2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine
SMILESC1=C[C@H]2S[C@H](c3ccccc3)[C@@H](c3ccccc3)ON2C=C1
InChIInChI=1S/C19H17NOS/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)22-17-13-7-8-14-20(17)21-18/h1-14,17-19H/t17-,18-,19-/m1/s1
InChIKeyFEKZDSAMWLFLOF-GUDVDZBRSA-N
XLogP4.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine
CID 3306493
(2S,3R)-2-methyl-3-phenylthiirane
CID 134929070
2-phenyl-2H-pyridin-1-amine
CID 152538395
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one
CID 134859810
(4S,5R)-4,5-diphenyl-1,3-oxathiolane-2-thione
CID 24874214
(2S,3S)-2-ethynyl-3-phenyloxirane
CID 11768694
(2S,3R)-2-ethyl-3-phenylthiirane
CID 134927560
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
16-phenyl-15-thiatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene
CID 11312637

Frequently Asked Questions

What is the IUPAC name of (2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine?
The IUPAC name of (2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine (CID 7319142) is (2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine.
What is the SMILES notation for (2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine?
The canonical SMILES for (2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine is C1=C[C@H]2S[C@H](c3ccccc3)[C@@H](c3ccccc3)ON2C=C1.
What is the InChIKey of (2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine?
The InChIKey is FEKZDSAMWLFLOF-GUDVDZBRSA-N. The full InChI is InChI=1S/C19H17NOS/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)22-17-13-7-8-14-20(17)21-18/h1-14,17-19H/t17-,18-,19-/m1/s1.
What are the key properties of (2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine?
(2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine has a molecular weight of 307.42 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,9aR)-2,3-diphenyl-3,9a-dihydro-2H-pyrido[1,2-b][1,4,2]oxathiazine is sourced from PubChem (CID 7319142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).