2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

C11H21N3O2S — CID 79328558

IUPAC2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESNC1CCN(CC(=O)N2CCS(=O)CC2)CC1
InChIInChI=1S/C11H21N3O2S/c12-10-1-3-13(4-2-10)9-11(15)14-5-7-17(16)8-6-14/h10H,1-9,12H2
InChIKeyOGEULURBZRTKEO-UHFFFAOYSA-N
MW259.37 g/mol
LogP-1.00
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 79328558) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
PubChem CID79328558
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
SMILESNC1CCN(CC(=O)N2CCS(=O)CC2)CC1
InChIInChI=1S/C11H21N3O2S/c12-10-1-3-13(4-2-10)9-11(15)14-5-7-17(16)8-6-14/h10H,1-9,12H2
InChIKeyOGEULURBZRTKEO-UHFFFAOYSA-N
XLogP-1.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-morpholin-4-ylethanone;dihydrochloride
CID 56773516
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
CID 119933833
2-(4-aminopiperidin-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone;trihydrochloride
CID 75494461
methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate
CID 79323233
1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578248
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43556595
2-(4-aminopiperidin-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107222871
2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone
CID 79328119
ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79322433
2-[(3S)-3-aminopyrrolidin-1-yl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 68646735

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone (CID 79328558) is 2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is NC1CCN(CC(=O)N2CCS(=O)CC2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is OGEULURBZRTKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c12-10-1-3-13(4-2-10)9-11(15)14-5-7-17(16)8-6-14/h10H,1-9,12H2.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone?
2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 259.37 g/mol, XLogP of -1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 79328558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).