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

C14H21NO2S — CID 66231242

IUPAC3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide
SMILESCCC1CS(=O)(=O)CC(c2ccc(C)cc2C)N1
InChIInChI=1S/C14H21NO2S/c1-4-12-8-18(16,17)9-14(15-12)13-6-5-10(2)7-11(13)3/h5-7,12,14-15H,4,8-9H2,1-3H3
InChIKeyIDHJKXNFTFVUEU-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.14
Rot. Bonds2

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

3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 66231242) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide
PubChem CID66231242
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide
SMILESCCC1CS(=O)(=O)CC(c2ccc(C)cc2C)N1
InChIInChI=1S/C14H21NO2S/c1-4-12-8-18(16,17)9-14(15-12)13-6-5-10(2)7-11(13)3/h5-7,12,14-15H,4,8-9H2,1-3H3
InChIKeyIDHJKXNFTFVUEU-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide (CID 66231242) is 3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide is CCC1CS(=O)(=O)CC(c2ccc(C)cc2C)N1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is IDHJKXNFTFVUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-12-8-18(16,17)9-14(15-12)13-6-5-10(2)7-11(13)3/h5-7,12,14-15H,4,8-9H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide?
3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 267.39 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-5-ethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66231242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).