2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine

C14H23N3O2S — CID 102886364

IUPAC2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2CCS(=O)(=O)CC2C)c1
InChIInChI=1S/C14H23N3O2S/c1-3-5-15-13-4-6-16-14(9-13)10-17-7-8-20(18,19)11-12(17)2/h4,6,9,12H,3,5,7-8,10-11H2,1-2H3,(H,15,16)
InChIKeyLRNJSQBQPHUHQP-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.52
Rot. Bonds5

About 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine

2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine (PubChem CID 102886364) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine
PubChem CID102886364
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2CCS(=O)(=O)CC2C)c1
InChIInChI=1S/C14H23N3O2S/c1-3-5-15-13-4-6-16-14(9-13)10-17-7-8-20(18,19)11-12(17)2/h4,6,9,12H,3,5,7-8,10-11H2,1-2H3,(H,15,16)
InChIKeyLRNJSQBQPHUHQP-UHFFFAOYSA-N
XLogP1.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79245125
3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 79251550
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
CID 83221527
1-[[4-(propylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide
CID 79245250
[4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]hydrazine
CID 102886415
2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79245524
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine
CID 79244943
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine
CID 79244278
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79250929
[3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine
CID 102882858
N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79251471
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]-N-propylpyridin-4-amine
CID 79251024

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine (CID 102886364) is 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(CN2CCS(=O)(=O)CC2C)c1.
What is the InChIKey of 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine?
The InChIKey is LRNJSQBQPHUHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-5-15-13-4-6-16-14(9-13)10-17-7-8-20(18,19)11-12(17)2/h4,6,9,12H,3,5,7-8,10-11H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine?
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine has a molecular weight of 297.42 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 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)methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 102886364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).