[2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C14H21N3O3S — CID 102886300

IUPAC[2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCCNc1cc(C(=O)N2CCS(=O)(=O)CC2C)cc(C)n1
InChIInChI=1S/C14H21N3O3S/c1-4-15-13-8-12(7-10(2)16-13)14(18)17-5-6-21(19,20)9-11(17)3/h7-8,11H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyWWOXPCMHMUYITQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.08
Rot. Bonds3

About [2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

[2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 102886300) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is [2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID102886300
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name[2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCCNc1cc(C(=O)N2CCS(=O)(=O)CC2C)cc(C)n1
InChIInChI=1S/C14H21N3O3S/c1-4-15-13-8-12(7-10(2)16-13)14(18)17-5-6-21(19,20)9-11(17)3/h7-8,11H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyWWOXPCMHMUYITQ-UHFFFAOYSA-N
XLogP1.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone with MolForge

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Related Compounds

[6-(ethylamino)pyridazin-3-yl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886319
(2-hydrazinyl-4-pyridinyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886398
[2-(ethylamino)-6-methyl-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681687
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)phenyl]methanone
CID 102886340
(3,5-difluoro-4-hydrazinylphenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886410
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
[4-(2-aminoethyl)phenyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883272
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(2-methyl-5-sulfanylphenyl)methanone
CID 107036783
(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone
CID 103738174
(3-anilinophenyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 166211961
[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 113378946

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 102886300) is [2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CCNc1cc(C(=O)N2CCS(=O)(=O)CC2C)cc(C)n1.
What is the InChIKey of [2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is WWOXPCMHMUYITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-15-13-8-12(7-10(2)16-13)14(18)17-5-6-21(19,20)9-11(17)3/h7-8,11H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of [2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 311.41 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-6-methyl-4-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 102886300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).