1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one

C12H22N2O3S — CID 65045865

IUPAC1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one
SMILESCN1CC(NC2CCCC2S(C)(=O)=O)CCC1=O
InChIInChI=1S/C12H22N2O3S/c1-14-8-9(6-7-12(14)15)13-10-4-3-5-11(10)18(2,16)17/h9-11,13H,3-8H2,1-2H3
InChIKeyYLTWRPTZPMYPHU-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.16
Rot. Bonds3

About 1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one

1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one (PubChem CID 65045865) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one
PubChem CID65045865
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC Name1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one
SMILESCN1CC(NC2CCCC2S(C)(=O)=O)CCC1=O
InChIInChI=1S/C12H22N2O3S/c1-14-8-9(6-7-12(14)15)13-10-4-3-5-11(10)18(2,16)17/h9-11,13H,3-8H2,1-2H3
InChIKeyYLTWRPTZPMYPHU-UHFFFAOYSA-N
XLogP0.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclobutylamino)-1-methylpiperidin-2-one
CID 64655743
5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one
CID 64655706
5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one
CID 64654722
1-methyl-5-(propan-2-ylamino)piperidin-2-one
CID 64655115
1-methyl-5-(thian-4-ylamino)piperidin-2-one
CID 64656130
5-[(3-ethylcyclohexyl)amino]-1-methylpiperidin-2-one
CID 64655089
1-methyl-5-(pyrrolidin-3-ylamino)piperidin-2-one
CID 79742153
5-[(3-methoxycyclobutyl)amino]-1-methylpiperidin-2-one
CID 104871603
5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one
CID 64656327
1-methyl-5-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]piperidin-2-one
CID 64656507
1-[4-[(2-methylsulfonylcyclopentyl)amino]piperidin-1-yl]ethanone
CID 65044493
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one (CID 65045865) is 1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one is CN1CC(NC2CCCC2S(C)(=O)=O)CCC1=O.
What is the InChIKey of 1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one?
The InChIKey is YLTWRPTZPMYPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-14-8-9(6-7-12(14)15)13-10-4-3-5-11(10)18(2,16)17/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one?
1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one has a molecular weight of 274.39 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2-methylsulfonylcyclopentyl)amino]piperidin-2-one is sourced from PubChem (CID 65045865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).