2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide

C12H17NOS — CID 66220159

IUPAC2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)C(C)C(c2ccccc2)N1
InChIInChI=1S/C12H17NOS/c1-9-8-15(14)10(2)12(13-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3
InChIKeyKZPYDUMIKYEXFQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.86
Rot. Bonds1

About 2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide

2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide (PubChem CID 66220159) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide
PubChem CID66220159
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide
SMILESCC1CS(=O)C(C)C(c2ccccc2)N1
InChIInChI=1S/C12H17NOS/c1-9-8-15(14)10(2)12(13-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3
InChIKeyKZPYDUMIKYEXFQ-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide 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-methyl-3-phenyl-1,4-thiazepane 1-oxide
CID 66217785
2-methyl-2,3,4a,5,6,10b-hexahydro-1H-benzo[f][1,4]benzothiazine 4-oxide
CID 66218175
(2R,3R,5S)-5-methyl-2,3-diphenylpiperazine
CID 15696220
3-(4-ethylphenyl)-2,5-dimethyl-1,4-thiazepane 1-oxide
CID 66233988
5-methyl-2,3-diphenyl-1,4-thiazinane 1,1-dioxide
CID 66219910
(2S,3S,6S)-6-methyl-2-phenylpiperidin-3-amine
CID 21069315
3-(4-chlorophenyl)-5-ethyl-2-methyl-1,4-thiazinane 1-oxide
CID 66229594
6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione
CID 75307773
(2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine
CID 134970046
6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine
CID 3834468
(2S,3R,6S)-6-methyl-2-phenyl-3-prop-1-en-2-ylpiperidine
CID 1426755
(1R,3R,5R)-3-benzyl-5-methyl-1,4-thiazinane 1-oxide
CID 124678443

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide?
The IUPAC name of 2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide (CID 66220159) is 2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide is CC1CS(=O)C(C)C(c2ccccc2)N1.
What is the InChIKey of 2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide?
The InChIKey is KZPYDUMIKYEXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-8-15(14)10(2)12(13-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide?
2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide has a molecular weight of 223.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 66220159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).