5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one

C13H21N3OS — CID 114236554

IUPAC5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one
SMILESCSC1CCN(CCn2cc(N)ccc2=O)CC1
InChIInChI=1S/C13H21N3OS/c1-18-12-4-6-15(7-5-12)8-9-16-10-11(14)2-3-13(16)17/h2-3,10,12H,4-9,14H2,1H3
InChIKeyUZOYVYDZZNFEPT-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.26
Rot. Bonds4

About 5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one

5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one (PubChem CID 114236554) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one
PubChem CID114236554
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one
SMILESCSC1CCN(CCn2cc(N)ccc2=O)CC1
InChIInChI=1S/C13H21N3OS/c1-18-12-4-6-15(7-5-12)8-9-16-10-11(14)2-3-13(16)17/h2-3,10,12H,4-9,14H2,1H3
InChIKeyUZOYVYDZZNFEPT-UHFFFAOYSA-N
XLogP1.26
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[2-(4-methylazepan-1-yl)ethyl]pyridin-2-one
CID 63623496
5-amino-1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 106835439
5-amino-1-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 63972270
5-amino-1-[2-(4,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 62937365
1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]piperidine-4-carboxamide
CID 43259605
5-amino-1-[2-(4,4-dimethylazepan-1-yl)ethyl]pyridin-2-one
CID 65283618
5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one
CID 43259546
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-5-aminopyridin-2-one
CID 113335564
5-amino-1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 63171540
5-amino-1-[2-(2,3-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 62125307
5-amino-1-[2-(2,4-dimethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 62330989
5-amino-1-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-one
CID 165482076

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one (CID 114236554) is 5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one is CSC1CCN(CCn2cc(N)ccc2=O)CC1.
What is the InChIKey of 5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is UZOYVYDZZNFEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-18-12-4-6-15(7-5-12)8-9-16-10-11(14)2-3-13(16)17/h2-3,10,12H,4-9,14H2,1H3.
What are the key properties of 5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 267.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-methylsulfanylpiperidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 114236554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).