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

C11H15NO2S — CID 82973176

IUPAC4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
SMILESO=S1CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C11H15NO2S/c13-11-3-1-10(2-4-11)9-12-5-7-15(14)8-6-12/h1-4,13H,5-9H2
InChIKeyKVOFHCLOXHVQJH-UHFFFAOYSA-N
MW225.31 g/mol
LogP0.96
Rot. Bonds2

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

4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol (PubChem CID 82973176) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
PubChem CID82973176
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
SMILESO=S1CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C11H15NO2S/c13-11-3-1-10(2-4-11)9-12-5-7-15(14)8-6-12/h1-4,13H,5-9H2
InChIKeyKVOFHCLOXHVQJH-UHFFFAOYSA-N
XLogP0.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-oxo-1,4-thiazinan-4-yl)methyl]aniline
CID 22569471
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82982082
4-bromo-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82982008
[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]methanesulfinate
CID 174628111
4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1-oxide
CID 144848834
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
methyl 2-[4-hydroxy-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate
CID 143592740
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
4-[[3-(methylsulfanylmethyl)phenyl]methyl]-1,4-thiazinane 1-oxide
CID 164591523
4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol
CID 107160669

Frequently Asked Questions

What is the IUPAC name of 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol?
The IUPAC name of 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol (CID 82973176) is 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol.
What is the SMILES notation for 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol?
The canonical SMILES for 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol is O=S1CCN(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol?
The InChIKey is KVOFHCLOXHVQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c13-11-3-1-10(2-4-11)9-12-5-7-15(14)8-6-12/h1-4,13H,5-9H2.
What are the key properties of 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol?
4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol has a molecular weight of 225.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol is sourced from PubChem (CID 82973176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).