(2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol

C16H26N2O4S — CID 100683475

IUPAC(2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](CO)N(C)CCN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C16H26N2O4S/c1-17(7-8-18-9-11-23(20,21)12-10-18)16(13-19)14-3-5-15(22-2)6-4-14/h3-6,16,19H,7-13H2,1-2H3/t16-/m1/s1
InChIKeyPIKCAEJNHVNKBF-MRXNPFEDSA-N
MW342.46 g/mol
LogP0.39
Rot. Bonds7

About (2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol

(2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol (PubChem CID 100683475) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is (2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol
PubChem CID100683475
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC Name(2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@@H](CO)N(C)CCN2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C16H26N2O4S/c1-17(7-8-18-9-11-23(20,21)12-10-18)16(13-19)14-3-5-15(22-2)6-4-14/h3-6,16,19H,7-13H2,1-2H3/t16-/m1/s1
InChIKeyPIKCAEJNHVNKBF-MRXNPFEDSA-N
XLogP0.39
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol with MolForge

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Related Compounds

2-(4-methoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]ethanol
CID 111434925
2-[2-(benzenesulfinyl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 111122551
2-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510
1-(4-methoxyphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-one
CID 63207477
2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 111122508
2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]-N-phenylacetamide
CID 111122600
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-[3-(4-methoxyphenyl)butyl]-2-methylguanidine;hydroiodide
CID 111640781
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine
CID 43581263
2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
N-(2,6-dimethylphenyl)-2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]acetamide
CID 111122580
1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methyl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 71876255
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 111488067

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol?
The IUPAC name of (2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol (CID 100683475) is (2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol.
What is the SMILES notation for (2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol?
The canonical SMILES for (2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol is COc1ccc([C@@H](CO)N(C)CCN2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of (2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol?
The InChIKey is PIKCAEJNHVNKBF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-17(7-8-18-9-11-23(20,21)12-10-18)16(13-19)14-3-5-15(22-2)6-4-14/h3-6,16,19H,7-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol?
(2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol has a molecular weight of 342.46 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 100683475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).