N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide

C12H22N2O3S — CID 113136448

IUPACN-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(CCC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C12H22N2O3S/c1-3-8-14(18(2,16)17)11-7-12(15)13-9-5-4-6-10-13/h3H,1,4-11H2,2H3
InChIKeyKGEHNEQTCSSULC-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.84
Rot. Bonds6

About N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide

N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide (PubChem CID 113136448) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
PubChem CID113136448
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(CCC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C12H22N2O3S/c1-3-8-14(18(2,16)17)11-7-12(15)13-9-5-4-6-10-13/h3H,1,4-11H2,2H3
InChIKeyKGEHNEQTCSSULC-UHFFFAOYSA-N
XLogP0.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide
CID 113115517
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-propylmethanesulfonamide
CID 113147458
N-(3-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113137802
N-[3-(dimethylamino)propyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113150088
N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137008
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137529
N-[(4-methylphenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113138968
N-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 113148243
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
3-[[2-(azepan-1-yl)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82327043
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide
CID 113153265
tert-butyl N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylcarbamate
CID 118798912

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide?
The IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide (CID 113136448) is N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide is C=CCN(CCC(=O)N1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide?
The InChIKey is KGEHNEQTCSSULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-3-8-14(18(2,16)17)11-7-12(15)13-9-5-4-6-10-13/h3H,1,4-11H2,2H3.
What are the key properties of N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide?
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 113136448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).