(1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol

C13H19NO3S — CID 102884577

IUPAC(1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol
SMILESCC1CS(=O)(=O)CCN1c1ccccc1[C@H](C)O
InChIInChI=1S/C13H19NO3S/c1-10-9-18(16,17)8-7-14(10)13-6-4-3-5-12(13)11(2)15/h3-6,10-11,15H,7-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyRWTURGAVMISNIA-DTIOYNMSSA-N
MW269.37 g/mol
LogP1.36
Rot. Bonds2

About (1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol

(1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol (PubChem CID 102884577) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol
PubChem CID102884577
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name(1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol
SMILESCC1CS(=O)(=O)CCN1c1ccccc1[C@H](C)O
InChIInChI=1S/C13H19NO3S/c1-10-9-18(16,17)8-7-14(10)13-6-4-3-5-12(13)11(2)15/h3-6,10-11,15H,7-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyRWTURGAVMISNIA-DTIOYNMSSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine
CID 102884022
4-(1-hydroxyethyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)benzonitrile
CID 102884564
2-(1-hydroxyethyl)-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenol
CID 102884585
(1S)-1-[3-fluoro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol
CID 102884592
1-[2-(2,4-dimethylpiperidin-1-yl)phenyl]ethanol
CID 55061562
1-[2-(3-methylmorpholin-4-yl)phenyl]ethanol
CID 43542345
(E)-3-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]prop-2-enoic acid
CID 102884965
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol
CID 104549320
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-methylsulfanylbenzenecarboximidamide
CID 102883781
N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]propan-1-amine
CID 102884896
1-[2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 43510148
2-ethylsulfanyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)benzonitrile
CID 102883409

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol (CID 102884577) is (1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol is CC1CS(=O)(=O)CCN1c1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol?
The InChIKey is RWTURGAVMISNIA-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-9-18(16,17)8-7-14(10)13-6-4-3-5-12(13)11(2)15/h3-6,10-11,15H,7-9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol?
(1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol has a molecular weight of 269.37 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanol is sourced from PubChem (CID 102884577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).