(3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone

C13H24N2O3S — CID 102883218

IUPAC(3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCCC1(C(=O)N2CCS(=O)(=O)CC2C)CCCNC1
InChIInChI=1S/C13H24N2O3S/c1-3-13(5-4-6-14-10-13)12(16)15-7-8-19(17,18)9-11(15)2/h11,14H,3-10H2,1-2H3
InChIKeyGGTIUIWXBLAIAF-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.41
Rot. Bonds2

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

(3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 102883218) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is (3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID102883218
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name(3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCCC1(C(=O)N2CCS(=O)(=O)CC2C)CCCNC1
InChIInChI=1S/C13H24N2O3S/c1-3-13(5-4-6-14-10-13)12(16)15-7-8-19(17,18)9-11(15)2/h11,14H,3-10H2,1-2H3
InChIKeyGGTIUIWXBLAIAF-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106742943
(2,5-dimethylmorpholin-4-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130536
(3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780497
1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780244
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
1-(3-ethylpiperidine-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 63131944
(3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone
CID 63138588
(3-ethylpiperidin-3-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052876
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
CID 55164111
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130768
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone (CID 102883218) is (3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is CCC1(C(=O)N2CCS(=O)(=O)CC2C)CCCNC1.
What is the InChIKey of (3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is GGTIUIWXBLAIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-3-13(5-4-6-14-10-13)12(16)15-7-8-19(17,18)9-11(15)2/h11,14H,3-10H2,1-2H3.
What are the key properties of (3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone?
(3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 288.41 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 102883218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).