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

C13H19NO2S — CID 82298558

IUPAC2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCCc1ccc(CC2CNCCS2(=O)=O)cc1
InChIInChI=1S/C13H19NO2S/c1-2-11-3-5-12(6-4-11)9-13-10-14-7-8-17(13,15)16/h3-6,13-14H,2,7-10H2,1H3
InChIKeySCBTWPQRXXXIBB-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.18
Rot. Bonds3

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

2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 82298558) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID82298558
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESCCc1ccc(CC2CNCCS2(=O)=O)cc1
InChIInChI=1S/C13H19NO2S/c1-2-11-3-5-12(6-4-11)9-13-10-14-7-8-17(13,15)16/h3-6,13-14H,2,7-10H2,1H3
InChIKeySCBTWPQRXXXIBB-UHFFFAOYSA-N
XLogP1.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.18
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-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 82298558) is 2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide is CCc1ccc(CC2CNCCS2(=O)=O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is SCBTWPQRXXXIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-11-3-5-12(6-4-11)9-13-10-14-7-8-17(13,15)16/h3-6,13-14H,2,7-10H2,1H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide?
2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 253.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 82298558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).