2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol

C13H19NO4S — CID 82981697

IUPAC2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
SMILESCOc1cc(CN2CCS(=O)CC2)cc(OC)c1O
InChIInChI=1S/C13H19NO4S/c1-17-11-7-10(8-12(18-2)13(11)15)9-14-3-5-19(16)6-4-14/h7-8,15H,3-6,9H2,1-2H3
InChIKeyCCJJOLNLHFLWLZ-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.97
Rot. Bonds4

About 2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol

2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol (PubChem CID 82981697) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
PubChem CID82981697
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
SMILESCOc1cc(CN2CCS(=O)CC2)cc(OC)c1O
InChIInChI=1S/C13H19NO4S/c1-17-11-7-10(8-12(18-2)13(11)15)9-14-3-5-19(16)6-4-14/h7-8,15H,3-6,9H2,1-2H3
InChIKeyCCJJOLNLHFLWLZ-UHFFFAOYSA-N
XLogP0.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82982082
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzoic acid
CID 106793536
4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 2901135
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzenecarboximidamide
CID 106790715
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
2,6-dimethoxy-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol;oxalic acid
CID 17366102
4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol
CID 82958668
methyl 4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazine-1-carbodithioate
CID 19388427
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 997986
4-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1131780
4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1148367

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol (CID 82981697) is 2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol is COc1cc(CN2CCS(=O)CC2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol?
The InChIKey is CCJJOLNLHFLWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-17-11-7-10(8-12(18-2)13(11)15)9-14-3-5-19(16)6-4-14/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol?
2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol has a molecular weight of 285.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol is sourced from PubChem (CID 82981697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).