4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide

C17H22N2OS — CID 144663519

IUPAC4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide
SMILESCCCc1cc2cccc(C)c2nc1N1CCS(=O)CC1
InChIInChI=1S/C17H22N2OS/c1-3-5-15-12-14-7-4-6-13(2)16(14)18-17(15)19-8-10-21(20)11-9-19/h4,6-7,12H,3,5,8-11H2,1-2H3
InChIKeyOJKMMOILILQHEQ-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.06
Rot. Bonds3

About 4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide

4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide (PubChem CID 144663519) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide
PubChem CID144663519
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide
SMILESCCCc1cc2cccc(C)c2nc1N1CCS(=O)CC1
InChIInChI=1S/C17H22N2OS/c1-3-5-15-12-14-7-4-6-13(2)16(14)18-17(15)19-8-10-21(20)11-9-19/h4,6-7,12H,3,5,8-11H2,1-2H3
InChIKeyOJKMMOILILQHEQ-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide (CID 144663519) is 4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide is CCCc1cc2cccc(C)c2nc1N1CCS(=O)CC1.
What is the InChIKey of 4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide?
The InChIKey is OJKMMOILILQHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-5-15-12-14-7-4-6-13(2)16(14)18-17(15)19-8-10-21(20)11-9-19/h4,6-7,12H,3,5,8-11H2,1-2H3.
What are the key properties of 4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide?
4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide has a molecular weight of 302.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methyl-3-propylquinolin-2-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 144663519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).