N-ethylbut-3-ene-2-sulfonamide

C6H13NO2S — CID 121422787

IUPACN-ethylbut-3-ene-2-sulfonamide
SMILESC=CC(C)S(=O)(=O)NCC
InChIInChI=1S/C6H13NO2S/c1-4-6(3)10(8,9)7-5-2/h4,6-7H,1,5H2,2-3H3
InChIKeyDPBLDBMOLKNJRB-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.50
Rot. Bonds4

About N-ethylbut-3-ene-2-sulfonamide

N-ethylbut-3-ene-2-sulfonamide (PubChem CID 121422787) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-ethylbut-3-ene-2-sulfonamide.

Molecular Properties

Compound NameN-ethylbut-3-ene-2-sulfonamide
PubChem CID121422787
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-ethylbut-3-ene-2-sulfonamide
SMILESC=CC(C)S(=O)(=O)NCC
InChIInChI=1S/C6H13NO2S/c1-4-6(3)10(8,9)7-5-2/h4,6-7H,1,5H2,2-3H3
InChIKeyDPBLDBMOLKNJRB-UHFFFAOYSA-N
XLogP0.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-2-sulfonamide?
The IUPAC name of N-ethylbut-3-ene-2-sulfonamide (CID 121422787) is N-ethylbut-3-ene-2-sulfonamide.
What is the SMILES notation for N-ethylbut-3-ene-2-sulfonamide?
The canonical SMILES for N-ethylbut-3-ene-2-sulfonamide is C=CC(C)S(=O)(=O)NCC.
What is the InChIKey of N-ethylbut-3-ene-2-sulfonamide?
The InChIKey is DPBLDBMOLKNJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-4-6(3)10(8,9)7-5-2/h4,6-7H,1,5H2,2-3H3.
What are the key properties of N-ethylbut-3-ene-2-sulfonamide?
N-ethylbut-3-ene-2-sulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbut-3-ene-2-sulfonamide is sourced from PubChem (CID 121422787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).