2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile

C15H15N3O2S — CID 102883404

IUPAC2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
SMILESCC1CS(=O)(=O)CCN1c1nc2ccccc2cc1C#N
InChIInChI=1S/C15H15N3O2S/c1-11-10-21(19,20)7-6-18(11)15-13(9-16)8-12-4-2-3-5-14(12)17-15/h2-5,8,11H,6-7,10H2,1H3
InChIKeyNWWCPYVNDLBSOL-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.73
Rot. Bonds1

About 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile

2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile (PubChem CID 102883404) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
PubChem CID102883404
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
SMILESCC1CS(=O)(=O)CCN1c1nc2ccccc2cc1C#N
InChIInChI=1S/C15H15N3O2S/c1-11-10-21(19,20)7-6-18(11)15-13(9-16)8-12-4-2-3-5-14(12)17-15/h2-5,8,11H,6-7,10H2,1H3
InChIKeyNWWCPYVNDLBSOL-UHFFFAOYSA-N
XLogP1.73
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)benzonitrile
CID 107107340
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinazolin-2-amine
CID 102887639
[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol
CID 102885836
2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 103896118
2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carbonitrile
CID 103577412
5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-nitrobenzonitrile
CID 102883397
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-5-(trifluoromethyl)benzonitrile
CID 102883416
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 102884295
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
2-[3-(triazol-2-yl)azetidin-1-yl]quinoline-3-carbonitrile
CID 154575908
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)quinoline-3-carbonitrile
CID 106314206
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 107085444

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile?
The IUPAC name of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile (CID 102883404) is 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile?
The canonical SMILES for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile is CC1CS(=O)(=O)CCN1c1nc2ccccc2cc1C#N.
What is the InChIKey of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile?
The InChIKey is NWWCPYVNDLBSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11-10-21(19,20)7-6-18(11)15-13(9-16)8-12-4-2-3-5-14(12)17-15/h2-5,8,11H,6-7,10H2,1H3.
What are the key properties of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile?
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile has a molecular weight of 301.37 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 102883404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).