1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone

C13H24N2O3S — CID 80520954

IUPAC1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
SMILESCC1CCC(C)N(C(=O)CC2CS(=O)(=O)CCN2)C1
InChIInChI=1S/C13H24N2O3S/c1-10-3-4-11(2)15(8-10)13(16)7-12-9-19(17,18)6-5-14-12/h10-12,14H,3-9H2,1-2H3
InChIKeyIDEVTDPNIQUMLK-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.41
Rot. Bonds2

About 1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone

1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone (PubChem CID 80520954) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
PubChem CID80520954
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
SMILESCC1CCC(C)N(C(=O)CC2CS(=O)(=O)CCN2)C1
InChIInChI=1S/C13H24N2O3S/c1-10-3-4-11(2)15(8-10)13(16)7-12-9-19(17,18)6-5-14-12/h10-12,14H,3-9H2,1-2H3
InChIKeyIDEVTDPNIQUMLK-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

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(4-methylcyclohexyl)ethanone
CID 116595583
(2S)-1-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 80520090
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-pyrrolidin-1-ylethanone
CID 80520589
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-piperazin-1-ylethanone
CID 80519969
1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119791797
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 80519951
2-[(3R)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 95970256
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102932565
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216959
propyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
CID 80518970
1-(1,1-dioxo-1,4-thiazinan-3-yl)dodecan-2-one
CID 116595448
1-(1,3-dihydroisoindol-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 80520763

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone (CID 80520954) is 1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone is CC1CCC(C)N(C(=O)CC2CS(=O)(=O)CCN2)C1.
What is the InChIKey of 1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone?
The InChIKey is IDEVTDPNIQUMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-10-3-4-11(2)15(8-10)13(16)7-12-9-19(17,18)6-5-14-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone?
1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone 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 1-(2,5-dimethylpiperidin-1-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone is sourced from PubChem (CID 80520954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).