3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one

C11H22N2O3S — CID 112686467

IUPAC3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
SMILESCS(=O)(=O)CCNCCC(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)10-7-12-6-5-11(14)13-8-3-2-4-9-13/h12H,2-10H2,1H3
InChIKeyALVHCKYYKAUDFQ-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.02
Rot. Bonds6

About 3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one

3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 112686467) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID112686467
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
SMILESCS(=O)(=O)CCNCCC(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O3S/c1-17(15,16)10-7-12-6-5-11(14)13-8-3-2-4-9-13/h12H,2-10H2,1H3
InChIKeyALVHCKYYKAUDFQ-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 47028347
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013258
1-(4-methylpiperazin-1-yl)-2-(2-methylsulfonylethylamino)ethanone
CID 54934696
3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115647680
1-[3-(dimethylsulfamoylamino)propanoyl]piperidine
CID 47305171
3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one
CID 137454148
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butanamide
CID 113411347
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one (CID 112686467) is 3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one is CS(=O)(=O)CCNCCC(=O)N1CCCCC1.
What is the InChIKey of 3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is ALVHCKYYKAUDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-17(15,16)10-7-12-6-5-11(14)13-8-3-2-4-9-13/h12H,2-10H2,1H3.
What are the key properties of 3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one?
3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 262.37 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112686467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).