(E)-N-ethylbut-1-ene-1-sulfonamide

C6H13NO2S — CID 89021419

IUPAC(E)-N-ethylbut-1-ene-1-sulfonamide
SMILESCC/C=C/S(=O)(=O)NCC
InChIInChI=1S/C6H13NO2S/c1-3-5-6-10(8,9)7-4-2/h5-7H,3-4H2,1-2H3/b6-5+
InChIKeyAYCANLBDLZMOJU-AATRIKPKSA-N
MW163.24 g/mol
LogP0.85
Rot. Bonds4

About (E)-N-ethylbut-1-ene-1-sulfonamide

(E)-N-ethylbut-1-ene-1-sulfonamide (PubChem CID 89021419) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (E)-N-ethylbut-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-ethylbut-1-ene-1-sulfonamide
PubChem CID89021419
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(E)-N-ethylbut-1-ene-1-sulfonamide
SMILESCC/C=C/S(=O)(=O)NCC
InChIInChI=1S/C6H13NO2S/c1-3-5-6-10(8,9)7-4-2/h5-7H,3-4H2,1-2H3/b6-5+
InChIKeyAYCANLBDLZMOJU-AATRIKPKSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethylbut-1-ene-1-sulfonamide?
The IUPAC name of (E)-N-ethylbut-1-ene-1-sulfonamide (CID 89021419) is (E)-N-ethylbut-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-ethylbut-1-ene-1-sulfonamide?
The canonical SMILES for (E)-N-ethylbut-1-ene-1-sulfonamide is CC/C=C/S(=O)(=O)NCC.
What is the InChIKey of (E)-N-ethylbut-1-ene-1-sulfonamide?
The InChIKey is AYCANLBDLZMOJU-AATRIKPKSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-5-6-10(8,9)7-4-2/h5-7H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-N-ethylbut-1-ene-1-sulfonamide?
(E)-N-ethylbut-1-ene-1-sulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethylbut-1-ene-1-sulfonamide is sourced from PubChem (CID 89021419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).