3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone

C14H18N2O2S — CID 127612447

IUPAC3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1CCSC2COCCC21
InChIInChI=1S/C14H18N2O2S/c1-10-11(3-2-5-15-10)14(17)16-6-8-19-13-9-18-7-4-12(13)16/h2-3,5,12-13H,4,6-9H2,1H3
InChIKeyBNSJOPFKCAAZAE-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.74
Rot. Bonds1

About 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone

3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone (PubChem CID 127612447) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone
PubChem CID127612447
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone
SMILESCc1ncccc1C(=O)N1CCSC2COCCC21
InChIInChI=1S/C14H18N2O2S/c1-10-11(3-2-5-15-10)14(17)16-6-8-19-13-9-18-7-4-12(13)16/h2-3,5,12-13H,4,6-9H2,1H3
InChIKeyBNSJOPFKCAAZAE-UHFFFAOYSA-N
XLogP1.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 99716446
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 127600781
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 71915260
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(4,5-dimethylthiophen-2-yl)methanone
CID 71915266
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-chlorothiophen-2-yl)methanone
CID 75429662
[(4aR,8aR)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]-(2,6-difluoro-3-hydroxyphenyl)methanone
CID 125140782
[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 97078399
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 102560081
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-(3-bromo-2-pyridinyl)methanone
CID 129402805
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 102788335
[2-(bromomethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 80658457
(2-bromo-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 103752337

Frequently Asked Questions

What is the IUPAC name of 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone?
The IUPAC name of 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone (CID 127612447) is 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone.
What is the SMILES notation for 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone?
The canonical SMILES for 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone is Cc1ncccc1C(=O)N1CCSC2COCCC21.
What is the InChIKey of 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone?
The InChIKey is BNSJOPFKCAAZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-10-11(3-2-5-15-10)14(17)16-6-8-19-13-9-18-7-4-12(13)16/h2-3,5,12-13H,4,6-9H2,1H3.
What are the key properties of 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone?
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone has a molecular weight of 278.38 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 127612447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).