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

C12H17NO3S — CID 82982082

IUPAC2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
SMILESCOc1cc(CN2CCS(=O)CC2)ccc1O
InChIInChI=1S/C12H17NO3S/c1-16-12-8-10(2-3-11(12)14)9-13-4-6-17(15)7-5-13/h2-3,8,14H,4-7,9H2,1H3
InChIKeyKHURLHZHNVVQST-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.97
Rot. Bonds3

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

2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol (PubChem CID 82982082) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
PubChem CID82982082
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
SMILESCOc1cc(CN2CCS(=O)CC2)ccc1O
InChIInChI=1S/C12H17NO3S/c1-16-12-8-10(2-3-11(12)14)9-13-4-6-17(15)7-5-13/h2-3,8,14H,4-7,9H2,1H3
InChIKeyKHURLHZHNVVQST-UHFFFAOYSA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82981697
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzoic acid
CID 106793536
4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol
CID 99842918
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzenecarboximidamide
CID 106790715
3-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65054045
2-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65062599
methyl 2-[4-hydroxy-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate
CID 143592740
4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82973176
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82980620
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;oxalic acid
CID 2838108

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol (CID 82982082) is 2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol is COc1cc(CN2CCS(=O)CC2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol?
The InChIKey is KHURLHZHNVVQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-16-12-8-10(2-3-11(12)14)9-13-4-6-17(15)7-5-13/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol?
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol has a molecular weight of 255.34 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol is sourced from PubChem (CID 82982082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).