2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide

C12H17NOS — CID 82473239

IUPAC2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide
SMILESCc1ccc(C)c(C2CNCCS2=O)c1
InChIInChI=1S/C12H17NOS/c1-9-3-4-10(2)11(7-9)12-8-13-5-6-15(12)14/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyHRFCEXVLZXXZQN-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.70
Rot. Bonds1

About 2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide

2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide (PubChem CID 82473239) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide
PubChem CID82473239
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide
SMILESCc1ccc(C)c(C2CNCCS2=O)c1
InChIInChI=1S/C12H17NOS/c1-9-3-4-10(2)11(7-9)12-8-13-5-6-15(12)14/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyHRFCEXVLZXXZQN-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide
CID 82477178
2-(2-methoxyphenyl)-1,4-thiazinane 1-oxide
CID 82473465
3-(2,5-dimethylphenyl)-4-methylpiperidine
CID 66273596
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
3-(3-bromophenyl)-4-(2,5-dimethylphenyl)piperidine
CID 79430904
(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
CID 171194638
2-(2-chlorocyclohexyl)-1,4-dimethylbenzene
CID 63512125
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
(2S)-2-(2,4-dimethylphenyl)piperazine
CID 55264314
(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717060
6-(2,5-dimethylphenyl)-2,2-dimethylmorpholine
CID 65102537

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide (CID 82473239) is 2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide is Cc1ccc(C)c(C2CNCCS2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide?
The InChIKey is HRFCEXVLZXXZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-3-4-10(2)11(7-9)12-8-13-5-6-15(12)14/h3-4,7,12-13H,5-6,8H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide?
2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide has a molecular weight of 223.34 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 82473239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).