[4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol

C14H21NO2S — CID 110009271

IUPAC[4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol
SMILESCC1(C)CN(Cc2ccc(CO)cc2)CCS1=O
InChIInChI=1S/C14H21NO2S/c1-14(2)11-15(7-8-18(14)17)9-12-3-5-13(10-16)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyVOXZKAFWVVHEBF-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.52
Rot. Bonds3

About [4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol

[4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol (PubChem CID 110009271) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is [4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol
PubChem CID110009271
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name[4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol
SMILESCC1(C)CN(Cc2ccc(CO)cc2)CCS1=O
InChIInChI=1S/C14H21NO2S/c1-14(2)11-15(7-8-18(14)17)9-12-3-5-13(10-16)6-4-12/h3-6,16H,7-11H2,1-2H3
InChIKeyVOXZKAFWVVHEBF-UHFFFAOYSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2,2-dimethyl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4-thiazinane 1-oxide
CID 97232371
[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methanol
CID 102745130
(1R)-4-[[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methyl]-2,2-dimethyl-1,4-thiazinane 1-oxide
CID 97350145
3-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-1-(4-methylphenyl)propan-1-one
CID 99714023
4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol
CID 99842918
4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82973176
[4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol
CID 113365953
[4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110009060
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
[4-[[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009557
4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1-oxide
CID 144848834
[4-[(4-ethylazepan-1-yl)methyl]phenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol?
The IUPAC name of [4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol (CID 110009271) is [4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol?
The canonical SMILES for [4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol is CC1(C)CN(Cc2ccc(CO)cc2)CCS1=O.
What is the InChIKey of [4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol?
The InChIKey is VOXZKAFWVVHEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-14(2)11-15(7-8-18(14)17)9-12-3-5-13(10-16)6-4-12/h3-6,16H,7-11H2,1-2H3.
What are the key properties of [4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol?
[4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol has a molecular weight of 267.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methanol is sourced from PubChem (CID 110009271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).