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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Related Compounds

4-methyl-2-piperazin-1-ylquinoline
CID 598754
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
4-(2-methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid
CID 56874034
4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
CID 108777250
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
(2S,6S)-2,6-dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 705234
(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765029
4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
CID 45370344
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline
CID 108777282
(3R)-8-(4-methylquinolin-2-yl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190310

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).