2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide

C12H15NO2S — CID 10847492

IUPAC2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide
SMILESO=S1(=O)CCCC2CCc3ccccc3N21
InChIInChI=1S/C12H15NO2S/c14-16(15)9-3-5-11-8-7-10-4-1-2-6-12(10)13(11)16/h1-2,4,6,11H,3,5,7-9H2
InChIKeyFRKLJTDWOFGJML-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.93
Rot. Bonds

About 2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide

2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide (PubChem CID 10847492) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide.

Molecular Properties

Compound Name2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide
PubChem CID10847492
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide
SMILESO=S1(=O)CCCC2CCc3ccccc3N21
InChIInChI=1S/C12H15NO2S/c14-16(15)9-3-5-11-8-7-10-4-1-2-6-12(10)13(11)16/h1-2,4,6,11H,3,5,7-9H2
InChIKeyFRKLJTDWOFGJML-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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CID 640044
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CID 1333561
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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide?
The IUPAC name of 2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide (CID 10847492) is 2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide.
What is the SMILES notation for 2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide?
The canonical SMILES for 2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide is O=S1(=O)CCCC2CCc3ccccc3N21.
What is the InChIKey of 2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide?
The InChIKey is FRKLJTDWOFGJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-16(15)9-3-5-11-8-7-10-4-1-2-6-12(10)13(11)16/h1-2,4,6,11H,3,5,7-9H2.
What are the key properties of 2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide?
2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide has a molecular weight of 237.32 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,6-hexahydrothiazino[2,3-a]quinoline 1,1-dioxide is sourced from PubChem (CID 10847492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).