2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane

C12H17NOS — CID 66231973

IUPAC2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane
SMILESCOc1cccc(C2NC(C)CCS2)c1
InChIInChI=1S/C12H17NOS/c1-9-6-7-15-12(13-9)10-4-3-5-11(8-10)14-2/h3-5,8-9,12-13H,6-7H2,1-2H3
InChIKeyYKNGDYGGGUWPAI-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.81
Rot. Bonds2

About 2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane

2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane (PubChem CID 66231973) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane
PubChem CID66231973
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane
SMILESCOc1cccc(C2NC(C)CCS2)c1
InChIInChI=1S/C12H17NOS/c1-9-6-7-15-12(13-9)10-4-3-5-11(8-10)14-2/h3-5,8-9,12-13H,6-7H2,1-2H3
InChIKeyYKNGDYGGGUWPAI-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethoxyphenyl)-4-methyl-1,3-thiazinane
CID 66231747
2-(3-methoxyphenyl)-1,3-dithiane
CID 11276210
2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazinane
CID 81441856
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene
CID 101067794
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
3-(3-methoxyphenyl)-5-methyl-1,4-thiazinane 1-oxide
CID 66219415
2-(3-methoxyphenyl)thiomorpholin-3-one
CID 14169391
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
4,6-bis(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202191

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane?
The IUPAC name of 2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane (CID 66231973) is 2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane?
The canonical SMILES for 2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane is COc1cccc(C2NC(C)CCS2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane?
The InChIKey is YKNGDYGGGUWPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-6-7-15-12(13-9)10-4-3-5-11(8-10)14-2/h3-5,8-9,12-13H,6-7H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane?
2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane has a molecular weight of 223.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-methyl-1,3-thiazinane is sourced from PubChem (CID 66231973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).