2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide

C12H17NO2S — CID 82292543

IUPAC2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(CC2CNCCS2(=O)=O)cc1
InChIInChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)8-12-9-13-6-7-16(12,14)15/h2-5,12-13H,6-9H2,1H3
InChIKeyVZDFXVSHXXGVFM-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.92
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide

2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 82292543) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID82292543
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(CC2CNCCS2(=O)=O)cc1
InChIInChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)8-12-9-13-6-7-16(12,14)15/h2-5,12-13H,6-9H2,1H3
InChIKeyVZDFXVSHXXGVFM-UHFFFAOYSA-N
XLogP0.92
TPSA46.17 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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenylthiomorpholine
CID 5004199
4-[(4-Methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2815708
N-(2-cyclohex-1-en-1-ylethyl)-3-[(4-methylbenzyl)sulfonyl]propanamide
CID 4119952
(+/-)-N-(2-(benzhydrylsulfinyl)ethyl)-3-phenylpropan-1-amine
CID 53324070
4-Phenethyl-1lambda~6~,4-thiazinane-1,1-dione
CID 318456
(R)-N-(2-((3-Fluorobenzyl)sulfonyl)ethyl)butan-2-amine
CID 73053479
N-(2-(benzhydrylsulfinyl)ethyl)butan-1-amine
CID 76325539
Ethanethiol, 2-(4-(p-ethylphenyl)butyl)amino-, hydrogen sulfate (ester)
CID 210357
3-(Phenethylamino)tetrahydrothiophene 1,1-dioxide
CID 415163
3-(3-(Methylsulfonyl)phenyl)piperidine
CID 10890006
3-[(4-methylbenzyl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propanamide
CID 5068932
4-(3-Phenylpropyl)-1,4-thiazinane 1,1-dioxide
CID 318457

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 82292543) is 2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide is Cc1ccc(CC2CNCCS2(=O)=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is VZDFXVSHXXGVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-2-4-11(5-3-10)8-12-9-13-6-7-16(12,14)15/h2-5,12-13H,6-9H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 239.34 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 82292543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).