2-formyl-N,N-dipropylpiperidine-1-sulfonamide

C12H24N2O3S — CID 55258921

IUPAC2-formyl-N,N-dipropylpiperidine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCCCC1C=O
InChIInChI=1S/C12H24N2O3S/c1-3-8-13(9-4-2)18(16,17)14-10-6-5-7-12(14)11-15/h11-12H,3-10H2,1-2H3
InChIKeyBESILDKQWSYJCH-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.41
Rot. Bonds7

About 2-formyl-N,N-dipropylpiperidine-1-sulfonamide

2-formyl-N,N-dipropylpiperidine-1-sulfonamide (PubChem CID 55258921) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-formyl-N,N-dipropylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name2-formyl-N,N-dipropylpiperidine-1-sulfonamide
PubChem CID55258921
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-formyl-N,N-dipropylpiperidine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCCCC1C=O
InChIInChI=1S/C12H24N2O3S/c1-3-8-13(9-4-2)18(16,17)14-10-6-5-7-12(14)11-15/h11-12H,3-10H2,1-2H3
InChIKeyBESILDKQWSYJCH-UHFFFAOYSA-N
XLogP1.41
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.41
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 2-formyl-N,N-dipropylpiperidine-1-sulfonamide?
The IUPAC name of 2-formyl-N,N-dipropylpiperidine-1-sulfonamide (CID 55258921) is 2-formyl-N,N-dipropylpiperidine-1-sulfonamide.
What is the SMILES notation for 2-formyl-N,N-dipropylpiperidine-1-sulfonamide?
The canonical SMILES for 2-formyl-N,N-dipropylpiperidine-1-sulfonamide is CCCN(CCC)S(=O)(=O)N1CCCCC1C=O.
What is the InChIKey of 2-formyl-N,N-dipropylpiperidine-1-sulfonamide?
The InChIKey is BESILDKQWSYJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-8-13(9-4-2)18(16,17)14-10-6-5-7-12(14)11-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-formyl-N,N-dipropylpiperidine-1-sulfonamide?
2-formyl-N,N-dipropylpiperidine-1-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 1.41, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N,N-dipropylpiperidine-1-sulfonamide is sourced from PubChem (CID 55258921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).