2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone

C13H24N2O4S — CID 107216959

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CS(=O)(=O)CCN1)N1CCCC(CCO)C1
InChIInChI=1S/C13H24N2O4S/c16-6-3-11-2-1-5-15(9-11)13(17)8-12-10-20(18,19)7-4-14-12/h11-12,14,16H,1-10H2
InChIKeyROGHCUNGWHRCOI-UHFFFAOYSA-N
MW304.41 g/mol
LogP-0.62
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone (PubChem CID 107216959) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
PubChem CID107216959
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CS(=O)(=O)CCN1)N1CCCC(CCO)C1
InChIInChI=1S/C13H24N2O4S/c16-6-3-11-2-1-5-15(9-11)13(17)8-12-10-20(18,19)7-4-14-12/h11-12,14,16H,1-10H2
InChIKeyROGHCUNGWHRCOI-UHFFFAOYSA-N
XLogP-0.62
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 80519951
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
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216511
(2S)-1-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 80520090
4-[2-(1,1-dioxo-1,4-thiazinan-3-yl)acetyl]piperazin-2-one
CID 80519900
1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421814
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102932565
3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107216510
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 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone (CID 107216959) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone is O=C(CC1CS(=O)(=O)CCN1)N1CCCC(CCO)C1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
The InChIKey is ROGHCUNGWHRCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c16-6-3-11-2-1-5-15(9-11)13(17)8-12-10-20(18,19)7-4-14-12/h11-12,14,16H,1-10H2.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone has a molecular weight of 304.41 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 107216959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).