3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate

C10H19NO4S — CID 139973144

IUPAC3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(C)NS(=O)(=O)CC
InChIInChI=1S/C10H19NO4S/c1-6-16(13,14)11-8(4)9(5)15-10(12)7(2)3/h8-9,11H,2,6H2,1,3-5H3
InChIKeyOZIIUXOOVSKHHX-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.82
Rot. Bonds6

About 3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate

3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate (PubChem CID 139973144) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate
PubChem CID139973144
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C(C)NS(=O)(=O)CC
InChIInChI=1S/C10H19NO4S/c1-6-16(13,14)11-8(4)9(5)15-10(12)7(2)3/h8-9,11H,2,6H2,1,3-5H3
InChIKeyOZIIUXOOVSKHHX-UHFFFAOYSA-N
XLogP0.82
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate (CID 139973144) is 3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C(C)NS(=O)(=O)CC.
What is the InChIKey of 3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate?
The InChIKey is OZIIUXOOVSKHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-6-16(13,14)11-8(4)9(5)15-10(12)7(2)3/h8-9,11H,2,6H2,1,3-5H3.
What are the key properties of 3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate?
3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate has a molecular weight of 249.33 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfonylamino)butan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 139973144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).