N-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide

C13H26N2O4S — CID 3241491

IUPACN-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCCOC)CC1
InChIInChI=1S/C13H26N2O4S/c1-3-11-20(17,18)15-8-5-12(6-9-15)13(16)14-7-4-10-19-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyXNVRFJFYBUJMJB-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.59
Rot. Bonds8

About N-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide

N-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 3241491) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID3241491
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCCOC)CC1
InChIInChI=1S/C13H26N2O4S/c1-3-11-20(17,18)15-8-5-12(6-9-15)13(16)14-7-4-10-19-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyXNVRFJFYBUJMJB-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-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide (CID 3241491) is N-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NCCCOC)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is XNVRFJFYBUJMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-3-11-20(17,18)15-8-5-12(6-9-15)13(16)14-7-4-10-19-2/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-(3-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide?
N-(3-methoxypropyl)-1-propylsulfonylpiperidine-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-methoxypropyl)-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3241491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).