3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide

C15H23NO2S — CID 66230082

IUPAC3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCCC1CS(=O)(=O)CC(c2c(C)cc(C)cc2C)N1
InChIInChI=1S/C15H23NO2S/c1-5-13-8-19(17,18)9-14(16-13)15-11(3)6-10(2)7-12(15)4/h6-7,13-14,16H,5,8-9H2,1-4H3
InChIKeyFKRZHIWLXKIKIZ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.45
Rot. Bonds2

About 3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide

3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 66230082) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide
PubChem CID66230082
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCCC1CS(=O)(=O)CC(c2c(C)cc(C)cc2C)N1
InChIInChI=1S/C15H23NO2S/c1-5-13-8-19(17,18)9-14(16-13)15-11(3)6-10(2)7-12(15)4/h6-7,13-14,16H,5,8-9H2,1-4H3
InChIKeyFKRZHIWLXKIKIZ-UHFFFAOYSA-N
XLogP2.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide
CID 66231242
3-(2,6-difluorophenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide
CID 66229602
3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,4-thiazinane 1,1-dioxide
CID 66231238
4-(2,4,6-trimethylphenyl)azetidin-2-one
CID 64664712
3-ethyl-5-(3-ethyl-1-benzofuran-2-yl)-1,4-thiazinane 1,1-dioxide
CID 66231241
3-ethyl-5-methyl-1,4-thiazepane 1,1-dioxide
CID 66233541
[5-(2,4,6-trimethylphenyl)pyrazolidin-3-yl]methanol
CID 77099139
3-methyl-5-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
CID 66218189
(3S)-N-butyl-1,1-dioxo-N-[(2,4,6-trimethylphenyl)methyl]thiolan-3-amine
CID 95173598
N-(1,1-dioxothiolan-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 45154252
3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229951
3-methyl-5-propyl-1,4-thiazinane 1,1-dioxide
CID 66219421

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide (CID 66230082) is 3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide is CCC1CS(=O)(=O)CC(c2c(C)cc(C)cc2C)N1.
What is the InChIKey of 3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is FKRZHIWLXKIKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-5-13-8-19(17,18)9-14(16-13)15-11(3)6-10(2)7-12(15)4/h6-7,13-14,16H,5,8-9H2,1-4H3.
What are the key properties of 3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide?
3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 281.42 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2,4,6-trimethylphenyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66230082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).