N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C13H24N2O4S — CID 115699662

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H24N2O4S/c1-11(2)10-19-9-6-14-13(16)12-4-7-15(8-5-12)20(3,17)18/h12H,1,4-10H2,2-3H3,(H,14,16)
InChIKeyRWLOVAPVKGAIMO-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.37
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 115699662) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID115699662
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H24N2O4S/c1-11(2)10-19-9-6-14-13(16)12-4-7-15(8-5-12)20(3,17)18/h12H,1,4-10H2,2-3H3,(H,14,16)
InChIKeyRWLOVAPVKGAIMO-UHFFFAOYSA-N
XLogP0.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5058959
N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 48861702
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide
CID 170709349
2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 106107966
1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 71849160
N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 6941835
1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 115700393
N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 4690278
1-methylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide
CID 3653413
N-(2-butoxyethyl)-1-ethylpiperidine-4-carboxamide
CID 176985091

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 115699662) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is C=C(C)COCCNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is RWLOVAPVKGAIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-11(2)10-19-9-6-14-13(16)12-4-7-15(8-5-12)20(3,17)18/h12H,1,4-10H2,2-3H3,(H,14,16).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 304.41 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 115699662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).