2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide

C14H20N2O4S — CID 80516039

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(O)cc1)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C14H20N2O4S/c1-16(9-11-2-4-13(17)5-3-11)14(18)8-12-10-21(19,20)7-6-15-12/h2-5,12,15,17H,6-10H2,1H3
InChIKeyQEVZTJKLWSRAMF-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.13
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide (PubChem CID 80516039) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
PubChem CID80516039
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(O)cc1)C(=O)CC1CS(=O)(=O)CCN1
InChIInChI=1S/C14H20N2O4S/c1-16(9-11-2-4-13(17)5-3-11)14(18)8-12-10-21(19,20)7-6-15-12/h2-5,12,15,17H,6-10H2,1H3
InChIKeyQEVZTJKLWSRAMF-UHFFFAOYSA-N
XLogP0.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 80519990
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethylphenyl)-N-methylacetamide
CID 80518081
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methoxy-N-methylacetamide
CID 80520093
N-[(4-ethylphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370210
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802
3-[[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915347
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 80520145
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 80522002
(4-methoxyphenyl)methyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80515049
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 80520161
1-(1,1-dioxo-1,4-thiazinan-3-yl)-3-phenylpropan-2-one
CID 116595361

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide (CID 80516039) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide is CN(Cc1ccc(O)cc1)C(=O)CC1CS(=O)(=O)CCN1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide?
The InChIKey is QEVZTJKLWSRAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-16(9-11-2-4-13(17)5-3-11)14(18)8-12-10-21(19,20)7-6-15-12/h2-5,12,15,17H,6-10H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide has a molecular weight of 312.39 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(4-hydroxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 80516039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).