N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

C13H26N2O4S — CID 113137804

IUPACN-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCOCCCN(CCC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O4S/c1-19-12-6-10-15(20(2,17)18)11-7-13(16)14-8-4-3-5-9-14/h3-12H2,1-2H3
InChIKeyYGDMMDYBGAOJEK-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.69
Rot. Bonds8

About N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide

N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (PubChem CID 113137804) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
PubChem CID113137804
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
SMILESCOCCCN(CCC(=O)N1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O4S/c1-19-12-6-10-15(20(2,17)18)11-7-13(16)14-8-4-3-5-9-14/h3-12H2,1-2H3
InChIKeyYGDMMDYBGAOJEK-UHFFFAOYSA-N
XLogP0.69
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide (CID 113137804) is N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is COCCCN(CCC(=O)N1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
The InChIKey is YGDMMDYBGAOJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-19-12-6-10-15(20(2,17)18)11-7-13(16)14-8-4-3-5-9-14/h3-12H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide?
N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 0.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 113137804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).