4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile

C15H22N4O2S — CID 133433965

IUPAC4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCCN2CCS(=O)(=O)CC2)c(C#N)c(C)n1
InChIInChI=1S/C15H22N4O2S/c1-12-10-15(14(11-16)13(2)18-12)17-4-3-5-19-6-8-22(20,21)9-7-19/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyLYAVENWNDSDXJD-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.10
Rot. Bonds5

About 4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133433965) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133433965
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCCN2CCS(=O)(=O)CC2)c(C#N)c(C)n1
InChIInChI=1S/C15H22N4O2S/c1-12-10-15(14(11-16)13(2)18-12)17-4-3-5-19-6-8-22(20,21)9-7-19/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyLYAVENWNDSDXJD-UHFFFAOYSA-N
XLogP1.10
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
4-[2-(4-benzhydrylpiperazin-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 3066626
4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81061309
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 81060304
2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 81059921
2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile
CID 83015551
methyl 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]propanoate
CID 81061329
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060937
2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile
CID 81061136

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 133433965) is 4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCCCN2CCS(=O)(=O)CC2)c(C#N)c(C)n1.
What is the InChIKey of 4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is LYAVENWNDSDXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-12-10-15(14(11-16)13(2)18-12)17-4-3-5-19-6-8-22(20,21)9-7-19/h10H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 322.43 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133433965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).