2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol

C12H17NO2S — CID 66224901

IUPAC2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol
SMILESCOc1ccc(C2NCCC(C)S2)cc1O
InChIInChI=1S/C12H17NO2S/c1-8-5-6-13-12(16-8)9-3-4-11(15-2)10(14)7-9/h3-4,7-8,12-14H,5-6H2,1-2H3
InChIKeyCZKNVNXENQXNPG-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.51
Rot. Bonds2

About 2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol

2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol (PubChem CID 66224901) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol.

Molecular Properties

Compound Name2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol
PubChem CID66224901
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol
SMILESCOc1ccc(C2NCCC(C)S2)cc1O
InChIInChI=1S/C12H17NO2S/c1-8-5-6-13-12(16-8)9-3-4-11(15-2)10(14)7-9/h3-4,7-8,12-14H,5-6H2,1-2H3
InChIKeyCZKNVNXENQXNPG-UHFFFAOYSA-N
XLogP2.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane
CID 66224677
2-methoxy-5-(4-methyl-1,3-thiazolidin-2-yl)phenol
CID 66218899
2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazolidine
CID 66241618
2-(4-bromophenyl)-6-methyl-1,3-thiazinane
CID 66224229
2-methoxy-5-(thian-4-yl)phenol
CID 84689296
6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane
CID 66224206
(2R,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854335
(2S,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854334
5-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-methoxyphenol
CID 672700
2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
CID 3050896
(1R,4aS,8aR)-1-(3-hydroxy-4-methoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 23968662
[4-[(2S)-azetidin-2-yl]-2-hydroxyphenyl] acetate
CID 131531579

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol?
The IUPAC name of 2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol (CID 66224901) is 2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol.
What is the SMILES notation for 2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol?
The canonical SMILES for 2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol is COc1ccc(C2NCCC(C)S2)cc1O.
What is the InChIKey of 2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol?
The InChIKey is CZKNVNXENQXNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-8-5-6-13-12(16-8)9-3-4-11(15-2)10(14)7-9/h3-4,7-8,12-14H,5-6H2,1-2H3.
What are the key properties of 2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol?
2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol has a molecular weight of 239.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(6-methyl-1,3-thiazinan-2-yl)phenol is sourced from PubChem (CID 66224901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).