methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate

C10H19NO4S — CID 64674762

IUPACmethyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate
SMILESCNC(CS(=O)(=O)CCC(=O)OC)C1CC1
InChIInChI=1S/C10H19NO4S/c1-11-9(8-3-4-8)7-16(13,14)6-5-10(12)15-2/h8-9,11H,3-7H2,1-2H3
InChIKeyDAICKCNRYWIJAV-UHFFFAOYSA-N
MW249.33 g/mol
LogP-0.04
Rot. Bonds7

About methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate

methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate (PubChem CID 64674762) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate
PubChem CID64674762
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namemethyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate
SMILESCNC(CS(=O)(=O)CCC(=O)OC)C1CC1
InChIInChI=1S/C10H19NO4S/c1-11-9(8-3-4-8)7-16(13,14)6-5-10(12)15-2/h8-9,11H,3-7H2,1-2H3
InChIKeyDAICKCNRYWIJAV-UHFFFAOYSA-N
XLogP-0.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate 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 methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate?
The IUPAC name of methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate (CID 64674762) is methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate.
What is the SMILES notation for methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate?
The canonical SMILES for methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate is CNC(CS(=O)(=O)CCC(=O)OC)C1CC1.
What is the InChIKey of methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate?
The InChIKey is DAICKCNRYWIJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-11-9(8-3-4-8)7-16(13,14)6-5-10(12)15-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate?
methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate has a molecular weight of 249.33 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-cyclopropyl-2-(methylamino)ethyl]sulfonylpropanoate is sourced from PubChem (CID 64674762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).