5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one

C13H21N3O3S — CID 79611479

IUPAC5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one
SMILESCc1cc(=O)n(CC2CCCN(S(C)(=O)=O)C2)cc1N
InChIInChI=1S/C13H21N3O3S/c1-10-6-13(17)15(9-12(10)14)7-11-4-3-5-16(8-11)20(2,18)19/h6,9,11H,3-5,7-8,14H2,1-2H3
InChIKeyKYHKPJNXCFANLP-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.41
Rot. Bonds3

About 5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one

5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one (PubChem CID 79611479) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one
PubChem CID79611479
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one
SMILESCc1cc(=O)n(CC2CCCN(S(C)(=O)=O)C2)cc1N
InChIInChI=1S/C13H21N3O3S/c1-10-6-13(17)15(9-12(10)14)7-11-4-3-5-16(8-11)20(2,18)19/h6,9,11H,3-5,7-8,14H2,1-2H3
InChIKeyKYHKPJNXCFANLP-UHFFFAOYSA-N
XLogP0.41
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylsulfonylpiperidin-3-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 79611507
1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine
CID 114935740
5-amino-6-chloro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-one
CID 114582769
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine
CID 79612105
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
CID 116620114
[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590112
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one
CID 79623267
5-(aminomethyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 112594219
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methylsulfanyl]aniline
CID 79613120
1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrole-2-carbothioamide
CID 114653800
3-[(5-bromo-2-methylphenoxy)methyl]-1-methylsulfonylpiperidine
CID 107284258

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one?
The IUPAC name of 5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one (CID 79611479) is 5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one is Cc1cc(=O)n(CC2CCCN(S(C)(=O)=O)C2)cc1N.
What is the InChIKey of 5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one?
The InChIKey is KYHKPJNXCFANLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10-6-13(17)15(9-12(10)14)7-11-4-3-5-16(8-11)20(2,18)19/h6,9,11H,3-5,7-8,14H2,1-2H3.
What are the key properties of 5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one?
5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one has a molecular weight of 299.40 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridin-2-one is sourced from PubChem (CID 79611479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).