N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide

C11H22N2O3S — CID 63844328

IUPACN-butyl-2-formyl-N-methylpiperidine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CCCCC1C=O
InChIInChI=1S/C11H22N2O3S/c1-3-4-8-12(2)17(15,16)13-9-6-5-7-11(13)10-14/h10-11H,3-9H2,1-2H3
InChIKeyJVGQLTOJMNJQHS-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.02
Rot. Bonds6

About N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide

N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide (PubChem CID 63844328) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-2-formyl-N-methylpiperidine-1-sulfonamide
PubChem CID63844328
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-butyl-2-formyl-N-methylpiperidine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CCCCC1C=O
InChIInChI=1S/C11H22N2O3S/c1-3-4-8-12(2)17(15,16)13-9-6-5-7-11(13)10-14/h10-11H,3-9H2,1-2H3
InChIKeyJVGQLTOJMNJQHS-UHFFFAOYSA-N
XLogP1.02
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide?
The IUPAC name of N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide (CID 63844328) is N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide is CCCCN(C)S(=O)(=O)N1CCCCC1C=O.
What is the InChIKey of N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide?
The InChIKey is JVGQLTOJMNJQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-4-8-12(2)17(15,16)13-9-6-5-7-11(13)10-14/h10-11H,3-9H2,1-2H3.
What are the key properties of N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide?
N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-formyl-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 63844328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).