2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide

C12H17NO2S — CID 82477178

IUPAC2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide
SMILESCOc1ccc(C)cc1C1CNCCS1=O
InChIInChI=1S/C12H17NO2S/c1-9-3-4-11(15-2)10(7-9)12-8-13-5-6-16(12)14/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyKSMAHLKFULOMEQ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.40
Rot. Bonds2

About 2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide

2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide (PubChem CID 82477178) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide
PubChem CID82477178
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide
SMILESCOc1ccc(C)cc1C1CNCCS1=O
InChIInChI=1S/C12H17NO2S/c1-9-3-4-11(15-2)10(7-9)12-8-13-5-6-16(12)14/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyKSMAHLKFULOMEQ-UHFFFAOYSA-N
XLogP1.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1,4-thiazinane 1-oxide
CID 82473465
2-(3-ethyl-4-methoxyphenyl)-1,4-thiazinane 1-oxide
CID 82481833
2-(2-methoxy-5-methylphenyl)-3-methylazetidine
CID 116822099
4-(2-methoxy-5-methylphenyl)azetidin-2-one
CID 66350975
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
3-(2-methoxy-5-methylphenyl)-6-methyl-1,4-thiazepane 1,1-dioxide
CID 66226419
ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine
CID 155709453
3-(2-methoxy-5-methylphenyl)-1-methylpiperazine
CID 82114400
2-(2-methoxy-5-methylphenyl)-3-methylmorpholine
CID 82286583
3-(2-methoxy-5-methylphenyl)-5-methyl-3H-1-benzofuran-2-one
CID 20648313
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919686
2-(2-methoxy-5-methylphenyl)-4-oxoazetidine-1-sulfonyl chloride
CID 66352502

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide (CID 82477178) is 2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide is COc1ccc(C)cc1C1CNCCS1=O.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide?
The InChIKey is KSMAHLKFULOMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9-3-4-11(15-2)10(7-9)12-8-13-5-6-16(12)14/h3-4,7,12-13H,5-6,8H2,1-2H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide?
2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide has a molecular weight of 239.34 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 82477178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).