2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide

C13H19NO2S — CID 82088264

IUPAC2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide
SMILESCCc1cccc(C)c1N1CCCCS1(=O)=O
InChIInChI=1S/C13H19NO2S/c1-3-12-8-6-7-11(2)13(12)14-9-4-5-10-17(14,15)16/h6-8H,3-5,9-10H2,1-2H3
InChIKeyVPISAUOQJAJLEY-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.49
Rot. Bonds2

About 2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide

2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide (PubChem CID 82088264) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide
PubChem CID82088264
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide
SMILESCCc1cccc(C)c1N1CCCCS1(=O)=O
InChIInChI=1S/C13H19NO2S/c1-3-12-8-6-7-11(2)13(12)14-9-4-5-10-17(14,15)16/h6-8H,3-5,9-10H2,1-2H3
InChIKeyVPISAUOQJAJLEY-UHFFFAOYSA-N
XLogP2.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorobenzyl)-N-(2-methylphenyl)methanesulfonamide
CID 838656
N-(2,6-dimethylphenyl)-N-(2-fluorobenzyl)methanesulfonamide
CID 967731
1-(2,6-Dimethylphenyl)-4-(1-piperidinylsulfonyl)piperazine
CID 1259180
1-(2,3-Dimethylphenyl)-4-ethylsulfonylpiperazine
CID 2171776
1-(Benzylsulfonyl)-4-(2-methylphenyl)piperazine
CID 6467596
1-(2,6-Dimethylphenyl)-4-(phenylsulfonyl)piperazine
CID 969570
1-(Methylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 669103
N-(2,4-dimethylphenyl)-N-(2-fluorobenzyl)methanesulfonamide
CID 2223394
1-(Benzylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 743639
4-(2,4-dimethylphenyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 849893
1-(2,3-Dimethylphenyl)-4-methylsulfonylpiperazine
CID 874211
6-Fluoro-2-methyl-1-(methylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 2930586

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide?
The IUPAC name of 2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide (CID 82088264) is 2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide?
The canonical SMILES for 2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide is CCc1cccc(C)c1N1CCCCS1(=O)=O.
What is the InChIKey of 2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide?
The InChIKey is VPISAUOQJAJLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-12-8-6-7-11(2)13(12)14-9-4-5-10-17(14,15)16/h6-8H,3-5,9-10H2,1-2H3.
What are the key properties of 2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide?
2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide has a molecular weight of 253.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylphenyl)thiazinane 1,1-dioxide is sourced from PubChem (CID 82088264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).