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

C12H23N3O3S — CID 79623267

IUPAC5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one
SMILESCS(=O)(=O)N1CCCC(CN2CC(N)CCC2=O)C1
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)15-6-2-3-10(8-15)7-14-9-11(13)4-5-12(14)16/h10-11H,2-9,13H2,1H3
InChIKeySNYJNSMGCZKKLS-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.39
Rot. Bonds3

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

5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one (PubChem CID 79623267) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one
PubChem CID79623267
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one
SMILESCS(=O)(=O)N1CCCC(CN2CC(N)CCC2=O)C1
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)15-6-2-3-10(8-15)7-14-9-11(13)4-5-12(14)16/h10-11H,2-9,13H2,1H3
InChIKeySNYJNSMGCZKKLS-UHFFFAOYSA-N
XLogP-0.39
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 112594219
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,4-diazepan-2-one
CID 79622206
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-3-amine
CID 79612398
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 79611508
2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 81014911
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
3,3-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine-2,6-dione
CID 79619740
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]azetidin-3-yl]methanol
CID 79622641
7-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 79620243
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one?
The IUPAC name of 5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one (CID 79623267) is 5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one.
What is the SMILES notation for 5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one?
The canonical SMILES for 5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one is CS(=O)(=O)N1CCCC(CN2CC(N)CCC2=O)C1.
What is the InChIKey of 5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one?
The InChIKey is SNYJNSMGCZKKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-19(17,18)15-6-2-3-10(8-15)7-14-9-11(13)4-5-12(14)16/h10-11H,2-9,13H2,1H3.
What are the key properties of 5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one?
5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one has a molecular weight of 289.40 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-one is sourced from PubChem (CID 79623267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).