4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide

C14H16N2O2S — CID 71858345

IUPAC4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1cc(N2CCS(=O)(=O)CC2)nc2ccccc12
InChIInChI=1S/C14H16N2O2S/c1-11-10-14(15-13-5-3-2-4-12(11)13)16-6-8-19(17,18)9-7-16/h2-5,10H,6-9H2,1H3
InChIKeyWHGPLADAQSIASP-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.78
Rot. Bonds1

About 4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide

4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 71858345) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID71858345
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
SMILESCc1cc(N2CCS(=O)(=O)CC2)nc2ccccc12
InChIInChI=1S/C14H16N2O2S/c1-11-10-14(15-13-5-3-2-4-12(11)13)16-6-8-19(17,18)9-7-16/h2-5,10H,6-9H2,1H3
InChIKeyWHGPLADAQSIASP-UHFFFAOYSA-N
XLogP1.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide (CID 71858345) is 4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide is Cc1cc(N2CCS(=O)(=O)CC2)nc2ccccc12.
What is the InChIKey of 4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is WHGPLADAQSIASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-10-14(15-13-5-3-2-4-12(11)13)16-6-8-19(17,18)9-7-16/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide?
4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 276.36 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 71858345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).