4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide

C13H15N3O2S — CID 71968313

IUPAC4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1cccc2c(N3CCS(=O)(=O)CC3)ncnc12
InChIInChI=1S/C13H15N3O2S/c1-10-3-2-4-11-12(10)14-9-15-13(11)16-5-7-19(17,18)8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyVAWGOQLIVJGUCK-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.17
Rot. Bonds1

About 4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 71968313) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID71968313
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1cccc2c(N3CCS(=O)(=O)CC3)ncnc12
InChIInChI=1S/C13H15N3O2S/c1-10-3-2-4-11-12(10)14-9-15-13(11)16-5-7-19(17,18)8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyVAWGOQLIVJGUCK-UHFFFAOYSA-N
XLogP1.17
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 71968313) is 4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide is Cc1cccc2c(N3CCS(=O)(=O)CC3)ncnc12.
What is the InChIKey of 4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is VAWGOQLIVJGUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-3-2-4-11-12(10)14-9-15-13(11)16-5-7-19(17,18)8-6-16/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 277.35 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methylquinazolin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71968313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).