2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide

C14H21NO3S — CID 66243100

IUPAC2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCCCOc1ccc(C2CS(=O)(=O)C(C)CN2)cc1
InChIInChI=1S/C14H21NO3S/c1-3-8-18-13-6-4-12(5-7-13)14-10-19(16,17)11(2)9-15-14/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeySQBMDXVNKUOIGV-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.92
Rot. Bonds4

About 2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide

2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 66243100) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide
PubChem CID66243100
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide
SMILESCCCOc1ccc(C2CS(=O)(=O)C(C)CN2)cc1
InChIInChI=1S/C14H21NO3S/c1-3-8-18-13-6-4-12(5-7-13)14-10-19(16,17)11(2)9-15-14/h4-7,11,14-15H,3,8-10H2,1-2H3
InChIKeySQBMDXVNKUOIGV-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propoxyphenyl)imidazolidin-2-one
CID 154396334
3-(2-methylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83242129
2-(4-propoxyphenyl)-3-propylimidazolidin-4-one
CID 115282100
4-methyl-3-(4-propoxyphenyl)piperidine
CID 66274020
2,2-diethyl-3-(4-propoxyphenyl)cyclobutan-1-one
CID 81414984
6-(4-propoxyphenyl)thiomorpholin-3-one
CID 46233199
2-(4-butoxyphenyl)piperidine
CID 3525424
5-methyl-2-(4-propoxyphenyl)cyclohexan-1-one
CID 23041608
3-(2,2-dimethylpropyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83247056
5-tert-butyl-2-(4-propoxyphenyl)-1,4-oxazepane
CID 106352888
5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 117416959
1-(1H-imidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
CID 142790061

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide (CID 66243100) is 2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide is CCCOc1ccc(C2CS(=O)(=O)C(C)CN2)cc1.
What is the InChIKey of 2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is SQBMDXVNKUOIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-8-18-13-6-4-12(5-7-13)14-10-19(16,17)11(2)9-15-14/h4-7,11,14-15H,3,8-10H2,1-2H3.
What are the key properties of 2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide?
2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 283.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-propoxyphenyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66243100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).