4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide

C15H23NO2S — CID 118740627

IUPAC4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCS(=O)(=O)C(C)(C)C2)cc1C
InChIInChI=1S/C15H23NO2S/c1-12-5-6-14(9-13(12)2)10-16-7-8-19(17,18)15(3,4)11-16/h5-6,9H,7-8,10-11H2,1-4H3
InChIKeyOJBKQYLPHWSPFG-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.31
Rot. Bonds2

About 4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide

4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (PubChem CID 118740627) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
PubChem CID118740627
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
SMILESCc1ccc(CN2CCS(=O)(=O)C(C)(C)C2)cc1C
InChIInChI=1S/C15H23NO2S/c1-12-5-6-14(9-13(12)2)10-16-7-8-19(17,18)15(3,4)11-16/h5-6,9H,7-8,10-11H2,1-4H3
InChIKeyOJBKQYLPHWSPFG-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Methylbenzyl)thiomorpholine
CID 785812
4-(3-Methylbenzyl)thiomorpholine
CID 792738
4-(4-Isopropylbenzyl)thiomorpholine
CID 792753
4-(4-Ethylbenzyl)thiomorpholine
CID 792772
Esproquin Hydrochloride
CID 31950
4-Benzylthiomorpholine 1,1-Dioxide
CID 318454
4-[(4-Methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2815708
4-(2,5-Dimethylbenzyl)thiomorpholine
CID 1377102
4-[3-(Trifluoromethyl)benzyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 3325305
4-[2-(Trifluoromethyl)benzyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 3837112
4-(2,3,4,5,6-Pentamethylbenzyl)thiomorpholine
CID 2804957
4-(4-Fluorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2767991

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide (CID 118740627) is 4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is Cc1ccc(CN2CCS(=O)(=O)C(C)(C)C2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is OJBKQYLPHWSPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12-5-6-14(9-13(12)2)10-16-7-8-19(17,18)15(3,4)11-16/h5-6,9H,7-8,10-11H2,1-4H3.
What are the key properties of 4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide?
4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 281.42 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 118740627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).