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

C14H13N3O2S — CID 43669154

IUPAC4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H13N3O2S/c15-9-11-10-16-13-4-2-1-3-12(13)14(11)17-5-7-20(18,19)8-6-17/h1-4,10H,5-8H2
InChIKeyKGPPAFPHWWZPDA-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.34
Rot. Bonds1

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

4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile (PubChem CID 43669154) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
PubChem CID43669154
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCS(=O)(=O)CC1
InChIInChI=1S/C14H13N3O2S/c15-9-11-10-16-13-4-2-1-3-12(13)14(11)17-5-7-20(18,19)8-6-17/h1-4,10H,5-8H2
InChIKeyKGPPAFPHWWZPDA-UHFFFAOYSA-N
XLogP1.34
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 43669097
4-(4,4-dimethylazepan-1-yl)quinoline-3-carbonitrile
CID 65281204
4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 78885767
4-(4-ethenylpiperidin-1-yl)quinoline-3-carbonitrile
CID 133321761
4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbothioamide
CID 43669686
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)quinoline-3-carbonitrile
CID 133323058
4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
CID 55076424
4-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133469371
4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-3-carbonitrile
CID 133486256
4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile
CID 61217907
4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 107225382
4-(4-propyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 133342726

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile?
The IUPAC name of 4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile (CID 43669154) is 4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1N1CCS(=O)(=O)CC1.
What is the InChIKey of 4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile?
The InChIKey is KGPPAFPHWWZPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c15-9-11-10-16-13-4-2-1-3-12(13)14(11)17-5-7-20(18,19)8-6-17/h1-4,10H,5-8H2.
What are the key properties of 4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile?
4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile has a molecular weight of 287.34 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 43669154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).