N,N-dibutylprop-2-ene-1-sulfonamide

C11H23NO2S — CID 54062631

IUPACN,N-dibutylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CCCC)CCCC
InChIInChI=1S/C11H23NO2S/c1-4-7-9-12(10-8-5-2)15(13,14)11-6-3/h6H,3-5,7-11H2,1-2H3
InChIKeyMAURECRIDJLSSU-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.40
Rot. Bonds9

About N,N-dibutylprop-2-ene-1-sulfonamide

N,N-dibutylprop-2-ene-1-sulfonamide (PubChem CID 54062631) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N,N-dibutylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN,N-dibutylprop-2-ene-1-sulfonamide
PubChem CID54062631
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN,N-dibutylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CCCC)CCCC
InChIInChI=1S/C11H23NO2S/c1-4-7-9-12(10-8-5-2)15(13,14)11-6-3/h6H,3-5,7-11H2,1-2H3
InChIKeyMAURECRIDJLSSU-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutylprop-2-ene-1-sulfonamide?
The IUPAC name of N,N-dibutylprop-2-ene-1-sulfonamide (CID 54062631) is N,N-dibutylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N,N-dibutylprop-2-ene-1-sulfonamide?
The canonical SMILES for N,N-dibutylprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutylprop-2-ene-1-sulfonamide?
The InChIKey is MAURECRIDJLSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-7-9-12(10-8-5-2)15(13,14)11-6-3/h6H,3-5,7-11H2,1-2H3.
What are the key properties of N,N-dibutylprop-2-ene-1-sulfonamide?
N,N-dibutylprop-2-ene-1-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 54062631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).