2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide

C13H19NO2S — CID 82298543

IUPAC2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)c1ccc(C2CNCCS2(=O)=O)cc1
InChIInChI=1S/C13H19NO2S/c1-10(2)11-3-5-12(6-4-11)13-9-14-7-8-17(13,15)16/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyCKBPMHIVEBSCDB-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.87
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide

2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 82298543) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide
PubChem CID82298543
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)c1ccc(C2CNCCS2(=O)=O)cc1
InChIInChI=1S/C13H19NO2S/c1-10(2)11-3-5-12(6-4-11)13-9-14-7-8-17(13,15)16/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyCKBPMHIVEBSCDB-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.87
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
Propane-2-sulfonic acid (2-biphenyl-4-yl-propyl)-amide
CID 10829310
Propane-2-sulfonic acid [2-(4''-methyl-biphenyl-4-yl)-propyl]-amide
CID 10853988
4-Phenethyl-1lambda~6~,4-thiazinane-1,1-dione
CID 318456
Propane-2-sulfonic acid (trans-4-biphenyl-4-yl-1-ethyl-piperidin-3-yl)-amide
CID 52945565
N-(2-(benzhydrylsulfinyl)ethyl)butan-1-amine
CID 76325539
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
(2R)-N-methyl-1-oxo-2-phenylthiane-2-carbothioamide
CID 45266370
4-(3-Phenylpropyl)-1,4-thiazinane 1,1-dioxide
CID 318457

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide (CID 82298543) is 2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide is CC(C)c1ccc(C2CNCCS2(=O)=O)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is CKBPMHIVEBSCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10(2)11-3-5-12(6-4-11)13-9-14-7-8-17(13,15)16/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide?
2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 253.37 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 82298543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).