N-ethylbut-1-ene-1-sulfonamide

C6H13NO2S — CID 57201047

IUPACN-ethylbut-1-ene-1-sulfonamide
SMILESCCC=CS(=O)(=O)NCC
InChIInChI=1S/C6H13NO2S/c1-3-5-6-10(8,9)7-4-2/h5-7H,3-4H2,1-2H3
InChIKeyAYCANLBDLZMOJU-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.85
Rot. Bonds4

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

N-ethylbut-1-ene-1-sulfonamide (PubChem CID 57201047) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-ethylbut-1-ene-1-sulfonamide.

Molecular Properties

Compound NameN-ethylbut-1-ene-1-sulfonamide
PubChem CID57201047
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-ethylbut-1-ene-1-sulfonamide
SMILESCCC=CS(=O)(=O)NCC
InChIInChI=1S/C6H13NO2S/c1-3-5-6-10(8,9)7-4-2/h5-7H,3-4H2,1-2H3
InChIKeyAYCANLBDLZMOJU-UHFFFAOYSA-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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Related Compounds

N-Allylmethanesulfonamide
CID 4675024
N-allylethenesulfonamide
CID 20462682
3,4-dihydro-2H-1lambda6,2-thiazine-1,1-dione
CID 58610118
(2e)-3-Methanesulfonylprop-2-en-1-amine
CID 15172420
N-methylbut-3-ene-1-sulfonamide
CID 57167241
N-methylpent-4-ene-1-sulfonamide
CID 87404975
N-ethylbut-3-ene-1-sulfonamide
CID 130725638
N-allyl-n-butanesulfamide
CID 13498652
N-mesyl-4-pentenylamine
CID 15267597
N-prop-2-enylbut-3-ene-1-sulfonamide
CID 84480039
N-but-3-enylprop-2-ene-1-sulfonamide
CID 116033650
N-pent-4-enylbut-3-ene-1-sulfonamide
CID 155931513

Frequently Asked Questions

What is the IUPAC name of N-ethylbut-1-ene-1-sulfonamide?
The IUPAC name of N-ethylbut-1-ene-1-sulfonamide (CID 57201047) is N-ethylbut-1-ene-1-sulfonamide.
What is the SMILES notation for N-ethylbut-1-ene-1-sulfonamide?
The canonical SMILES for N-ethylbut-1-ene-1-sulfonamide is CCC=CS(=O)(=O)NCC.
What is the InChIKey of N-ethylbut-1-ene-1-sulfonamide?
The InChIKey is AYCANLBDLZMOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-5-6-10(8,9)7-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of N-ethylbut-1-ene-1-sulfonamide?
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 N-ethylbut-1-ene-1-sulfonamide is sourced from PubChem (CID 57201047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).