N-butyl-1-propylsulfonylpiperidine-3-carboxamide

C13H26N2O3S — CID 5193635

IUPACN-butyl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(S(=O)(=O)CCC)C1
InChIInChI=1S/C13H26N2O3S/c1-3-5-8-14-13(16)12-7-6-9-15(11-12)19(17,18)10-4-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyUTPBCDHPNISOKL-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.35
Rot. Bonds7

About N-butyl-1-propylsulfonylpiperidine-3-carboxamide

N-butyl-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 5193635) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-butyl-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID5193635
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-butyl-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(S(=O)(=O)CCC)C1
InChIInChI=1S/C13H26N2O3S/c1-3-5-8-14-13(16)12-7-6-9-15(11-12)19(17,18)10-4-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyUTPBCDHPNISOKL-UHFFFAOYSA-N
XLogP1.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-butyl-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-butyl-1-propylsulfonylpiperidine-3-carboxamide (CID 5193635) is N-butyl-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-propylsulfonylpiperidine-3-carboxamide is CCCCNC(=O)C1CCCN(S(=O)(=O)CCC)C1.
What is the InChIKey of N-butyl-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is UTPBCDHPNISOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-5-8-14-13(16)12-7-6-9-15(11-12)19(17,18)10-4-2/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-butyl-1-propylsulfonylpiperidine-3-carboxamide?
N-butyl-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 5193635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).