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

C14H21N3O3S — CID 102886346

IUPAC(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H21N3O3S/c1-3-5-16-13-4-6-15-9-12(13)14(18)17-7-8-21(19,20)10-11(17)2/h4,6,9,11H,3,5,7-8,10H2,1-2H3,(H,15,16)
InChIKeyCPDCENACNJTHAC-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.16
Rot. Bonds4

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

(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone (PubChem CID 102886346) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
PubChem CID102886346
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H21N3O3S/c1-3-5-16-13-4-6-15-9-12(13)14(18)17-7-8-21(19,20)10-11(17)2/h4,6,9,11H,3,5,7-8,10H2,1-2H3,(H,15,16)
InChIKeyCPDCENACNJTHAC-UHFFFAOYSA-N
XLogP1.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[4-(methylamino)-3-pyridinyl]-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886333
(1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243093
(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81245049
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)phenyl]methanone
CID 102886340
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81240813
(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 104691766
[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 81234090
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 104960482
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81240564
(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81238415

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone (CID 102886346) is (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone is CCCNc1ccncc1C(=O)N1CCS(=O)(=O)CC1C.
What is the InChIKey of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The InChIKey is CPDCENACNJTHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-5-16-13-4-6-15-9-12(13)14(18)17-7-8-21(19,20)10-11(17)2/h4,6,9,11H,3,5,7-8,10H2,1-2H3,(H,15,16).
What are the key properties of (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone?
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone has a molecular weight of 311.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 102886346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).