[4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C12H17N3O3S — CID 102886333

IUPAC[4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCNc1ccncc1C(=O)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C12H17N3O3S/c1-9-8-19(17,18)6-5-15(9)12(16)10-7-14-4-3-11(10)13-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyLASQLOQLNOAHMD-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.38
Rot. Bonds2

About [4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

[4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 102886333) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is [4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID102886333
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name[4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCNc1ccncc1C(=O)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C12H17N3O3S/c1-9-8-19(17,18)6-5-15(9)12(16)10-7-14-4-3-11(10)13-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14)
InChIKeyLASQLOQLNOAHMD-UHFFFAOYSA-N
XLogP0.38
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone with MolForge

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Related Compounds

(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 102886346
(2,4-dibromophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103882913
(2-hydrazinyl-5-methylphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886399
(5-amino-1H-pyrazol-4-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102885522
(2-chloro-5-hydroxyphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 106502246
[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 81234090
(6-hydrazinylpyridazin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886401
3-methyl-4-[4-(methylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 81244952
(2-hydroxy-5-iodophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103522095
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81242593
furan-3-yl-[(3S)-3-methyl-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 99816902
(4-aminophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103811859

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 102886333) is [4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CNc1ccncc1C(=O)N1CCS(=O)(=O)CC1C.
What is the InChIKey of [4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is LASQLOQLNOAHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-8-19(17,18)6-5-15(9)12(16)10-7-14-4-3-11(10)13-2/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,14).
What are the key properties of [4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 283.35 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 102886333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).