N-ethylbut-3-ene-1-sulfonamide

C6H13NO2S — CID 130725638

IUPACN-ethylbut-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCC
InChIInChI=1S/C6H13NO2S/c1-3-5-6-10(8,9)7-4-2/h3,7H,1,4-6H2,2H3
InChIKeyZLOPNWAYDVSSCG-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.50
Rot. Bonds5

About N-ethylbut-3-ene-1-sulfonamide

N-ethylbut-3-ene-1-sulfonamide (PubChem CID 130725638) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-ethylbut-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-ethylbut-3-ene-1-sulfonamide
PubChem CID130725638
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-ethylbut-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCC
InChIInChI=1S/C6H13NO2S/c1-3-5-6-10(8,9)7-4-2/h3,7H,1,4-6H2,2H3
InChIKeyZLOPNWAYDVSSCG-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
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-ethylbut-3-ene-1-sulfonamide?
The IUPAC name of N-ethylbut-3-ene-1-sulfonamide (CID 130725638) is N-ethylbut-3-ene-1-sulfonamide.
What is the SMILES notation for N-ethylbut-3-ene-1-sulfonamide?
The canonical SMILES for N-ethylbut-3-ene-1-sulfonamide is C=CCCS(=O)(=O)NCC.
What is the InChIKey of N-ethylbut-3-ene-1-sulfonamide?
The InChIKey is ZLOPNWAYDVSSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-5-6-10(8,9)7-4-2/h3,7H,1,4-6H2,2H3.
What are the key properties of N-ethylbut-3-ene-1-sulfonamide?
N-ethylbut-3-ene-1-sulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbut-3-ene-1-sulfonamide is sourced from PubChem (CID 130725638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).