4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol

C16H25NO3S — CID 99842918

IUPAC4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol
SMILESCCC1(CC)CN(Cc2ccc(O)c(OC)c2)CC[S@]1=O
InChIInChI=1S/C16H25NO3S/c1-4-16(5-2)12-17(8-9-21(16)19)11-13-6-7-14(18)15(10-13)20-3/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3/t21-/m1/s1
InChIKeyKBSHVPWXRGXQBX-OAQYLSRUSA-N
MW311.45 g/mol
LogP2.52
Rot. Bonds5

About 4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol

4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol (PubChem CID 99842918) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol
PubChem CID99842918
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol
SMILESCCC1(CC)CN(Cc2ccc(O)c(OC)c2)CC[S@]1=O
InChIInChI=1S/C16H25NO3S/c1-4-16(5-2)12-17(8-9-21(16)19)11-13-6-7-14(18)15(10-13)20-3/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3/t21-/m1/s1
InChIKeyKBSHVPWXRGXQBX-OAQYLSRUSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol with MolForge

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Related Compounds

2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82982082
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82980620
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
3-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65054045
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzoic acid
CID 106793536
2-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65062599
2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82981697
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-methoxyphenol;oxalic acid
CID 2838108
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
CID 82981625
4-(hydroxymethyl)-2-methoxyphenol;bis(2-methylprop-2-enoic acid)
CID 118541193

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol (CID 99842918) is 4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol is CCC1(CC)CN(Cc2ccc(O)c(OC)c2)CC[S@]1=O.
What is the InChIKey of 4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol?
The InChIKey is KBSHVPWXRGXQBX-OAQYLSRUSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-4-16(5-2)12-17(8-9-21(16)19)11-13-6-7-14(18)15(10-13)20-3/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3/t21-/m1/s1.
What are the key properties of 4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol?
4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol has a molecular weight of 311.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 99842918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).