1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride

C13H25ClN2O2S — CID 119375866

IUPAC1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
SMILESCl.NC1CCN(C(=O)CSCC2CCCCO2)CC1
InChIInChI=1S/C13H24N2O2S.ClH/c14-11-4-6-15(7-5-11)13(16)10-18-9-12-3-1-2-8-17-12;/h11-12H,1-10,14H2;1H
InChIKeyGSBNQZCRILJFKK-UHFFFAOYSA-N
MW308.88 g/mol
LogP1.66
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride

1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride (PubChem CID 119375866) has the molecular formula C13H25ClN2O2S and a molecular weight of 308.88 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
PubChem CID119375866
Molecular FormulaC13H25ClN2O2S
Molecular Weight308.88 g/mol
Exact Mass308.13
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
SMILESCl.NC1CCN(C(=O)CSCC2CCCCO2)CC1
InChIInChI=1S/C13H24N2O2S.ClH/c14-11-4-6-15(7-5-11)13(16)10-18-9-12-3-1-2-8-17-12;/h11-12H,1-10,14H2;1H
InChIKeyGSBNQZCRILJFKK-UHFFFAOYSA-N
XLogP1.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone
CID 119638279
1-(1,1-dioxo-1,2,5-thiadiazepan-5-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone
CID 155957890
1-[2-(aminomethyl)piperidin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
CID 119468814
1-[(3R,4S)-4-tert-butyl-3-hydroxypiperidin-1-yl]-2-[[(2R)-oxan-2-yl]methylsulfanyl]ethanone
CID 129358817
1-[(3S)-3-methylsulfanylazepan-1-yl]-2-[[(2S)-oxan-2-yl]methylsulfanyl]ethanone
CID 124588083
N-(2-aminoethyl)-1-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119481570
1-(2-methylpiperazin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride
CID 119472660
1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride
CID 119374422
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120815605
N-[2-(cycloheptylamino)ethyl]-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119620861
N-(2-amino-2-ethylbutyl)-2-(oxan-2-ylmethylsulfanyl)acetamide
CID 119642821
2-[[2-(oxan-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 119350079

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride (CID 119375866) is 1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride is Cl.NC1CCN(C(=O)CSCC2CCCCO2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride?
The InChIKey is GSBNQZCRILJFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S.ClH/c14-11-4-6-15(7-5-11)13(16)10-18-9-12-3-1-2-8-17-12;/h11-12H,1-10,14H2;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride has a molecular weight of 308.88 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(oxan-2-ylmethylsulfanyl)ethanone;hydrochloride is sourced from PubChem (CID 119375866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).