N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide

C13H26N2O4S — CID 3236383

IUPACN-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C13H26N2O4S/c1-3-19-11-5-8-14-13(16)12-6-9-15(10-7-12)20(17,18)4-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyKWBCTJAFAZTEOU-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.59
Rot. Bonds8

About N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 3236383) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID3236383
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(S(=O)(=O)CC)CC1
InChIInChI=1S/C13H26N2O4S/c1-3-19-11-5-8-14-13(16)12-6-9-15(10-7-12)20(17,18)4-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyKWBCTJAFAZTEOU-UHFFFAOYSA-N
XLogP0.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.59
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-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 3236383) is N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(S(=O)(=O)CC)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is KWBCTJAFAZTEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-3-19-11-5-8-14-13(16)12-6-9-15(10-7-12)20(17,18)4-2/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3236383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).