(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone

C13H24N2O3S — CID 55164111

IUPAC(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCS(=O)(=O)CC2)CCCNC1
InChIInChI=1S/C13H24N2O3S/c1-2-4-13(5-3-6-14-11-13)12(16)15-7-9-19(17,18)10-8-15/h14H,2-11H2,1H3
InChIKeyNZGBFESMAPCMKP-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.41
Rot. Bonds3

About (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone

(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 55164111) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
PubChem CID55164111
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CCS(=O)(=O)CC2)CCCNC1
InChIInChI=1S/C13H24N2O3S/c1-2-4-13(5-3-6-14-11-13)12(16)15-7-9-19(17,18)10-8-15/h14H,2-11H2,1H3
InChIKeyNZGBFESMAPCMKP-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63138858
(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63163762
(4-ethylpiperazin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 55177029
(4-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132180
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
(3-hydroxy-3-methylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 103355905
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
(3-propylpiperidin-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743759
(2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63217718
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone
CID 112625019
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone (CID 55164111) is (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)N2CCS(=O)(=O)CC2)CCCNC1.
What is the InChIKey of (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is NZGBFESMAPCMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-2-4-13(5-3-6-14-11-13)12(16)15-7-9-19(17,18)10-8-15/h14H,2-11H2,1H3.
What are the key properties of (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone?
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 288.41 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 55164111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).