[3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone

C13H24N2O3S — CID 119492953

IUPAC[3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone
SMILESCNC1CCCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1
InChIInChI=1S/C13H24N2O3S/c1-14-11-6-5-9-15(10-11)12(16)13(19(2,17)18)7-3-4-8-13/h11,14H,3-10H2,1-2H3
InChIKeyPKLRBTLHNHGCAU-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.55
Rot. Bonds3

About [3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone

[3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone (PubChem CID 119492953) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone
PubChem CID119492953
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name[3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone
SMILESCNC1CCCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1
InChIInChI=1S/C13H24N2O3S/c1-14-11-6-5-9-15(10-11)12(16)13(19(2,17)18)7-3-4-8-13/h11,14H,3-10H2,1-2H3
InChIKeyPKLRBTLHNHGCAU-UHFFFAOYSA-N
XLogP0.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylsulfonylcyclopentyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95283281
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
[3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119492357
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
[3-(methylamino)piperidin-1-yl]-(1-phenylsulfanylcyclopentyl)methanone
CID 119490722
2-[acetyl-[1-(1-methylsulfonylcyclopentanecarbonyl)azepan-4-yl]amino]acetic acid
CID 120606418
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
[1-(3,5-dimethylphenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490422
N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide
CID 166310642
N-methyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]methanesulfonamide;hydrochloride
CID 119491039
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 119488173

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone (CID 119492953) is [3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone is CNC1CCCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone?
The InChIKey is PKLRBTLHNHGCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-14-11-6-5-9-15(10-11)12(16)13(19(2,17)18)7-3-4-8-13/h11,14H,3-10H2,1-2H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone?
[3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone has a molecular weight of 288.41 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(1-methylsulfonylcyclopentyl)methanone is sourced from PubChem (CID 119492953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).