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

C13H19N3O3S — CID 81243093

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-4-15-12-3-5-14-10-11(12)13(17)16-6-8-20(18,19)9-7-16/h3,5,10H,2,4,6-9H2,1H3,(H,14,15)
InChIKeyZYCMUQYAFRYNQO-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.77
Rot. Bonds4

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

(1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone (PubChem CID 81243093) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
PubChem CID81243093
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-4-15-12-3-5-14-10-11(12)13(17)16-6-8-20(18,19)9-7-16/h3,5,10H,2,4,6-9H2,1H3,(H,14,15)
InChIKeyZYCMUQYAFRYNQO-UHFFFAOYSA-N
XLogP0.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81240564
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 102886346
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
[4-(propylamino)-3-pyridinyl]-(1,4-thiazepan-4-yl)methanone
CID 81240198
(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81238415
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 103358219
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 104960482
(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243378
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663
(2-ethylmorpholin-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81242863
(4-ethylpiperazin-1-yl)-[3-(propylamino)-4-pyridinyl]methanone
CID 105068102

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone (CID 81243093) is (1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone is CCCNc1ccncc1C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The InChIKey is ZYCMUQYAFRYNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-4-15-12-3-5-14-10-11(12)13(17)16-6-8-20(18,19)9-7-16/h3,5,10H,2,4,6-9H2,1H3,(H,14,15).
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone has a molecular weight of 297.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81243093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).