N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide

C12H24N2O4S — CID 3594497

IUPACN-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCOC)C1
InChIInChI=1S/C12H24N2O4S/c1-3-9-19(16,17)14-7-4-5-11(10-14)12(15)13-6-8-18-2/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyAAUXCNAWGUQJRI-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.20
Rot. Bonds7

About N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide

N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 3594497) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID3594497
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCOC)C1
InChIInChI=1S/C12H24N2O4S/c1-3-9-19(16,17)14-7-4-5-11(10-14)12(15)13-6-8-18-2/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyAAUXCNAWGUQJRI-UHFFFAOYSA-N
XLogP0.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.20
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide (CID 3594497) is N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCOC)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is AAUXCNAWGUQJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-9-19(16,17)14-7-4-5-11(10-14)12(15)13-6-8-18-2/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide?
N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3594497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).