methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate

C10H20N2O4S — CID 103241570

IUPACmethyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate
SMILESCCN(CCCN/C=C/C(=O)OC)S(C)(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-4-12(17(3,14)15)9-5-7-11-8-6-10(13)16-2/h6,8,11H,4-5,7,9H2,1-3H3/b8-6+
InChIKeyQEYVFESETVNFFD-SOFGYWHQSA-N
MW264.35 g/mol
LogP-0.07
Rot. Bonds8

About methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate

methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate (PubChem CID 103241570) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate
PubChem CID103241570
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate
SMILESCCN(CCCN/C=C/C(=O)OC)S(C)(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-4-12(17(3,14)15)9-5-7-11-8-6-10(13)16-2/h6,8,11H,4-5,7,9H2,1-3H3/b8-6+
InChIKeyQEYVFESETVNFFD-SOFGYWHQSA-N
XLogP-0.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-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 methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate (CID 103241570) is methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate is CCN(CCCN/C=C/C(=O)OC)S(C)(=O)=O.
What is the InChIKey of methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate?
The InChIKey is QEYVFESETVNFFD-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-4-12(17(3,14)15)9-5-7-11-8-6-10(13)16-2/h6,8,11H,4-5,7,9H2,1-3H3/b8-6+.
What are the key properties of methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate?
methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate has a molecular weight of 264.35 g/mol, XLogP of -0.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[3-[ethyl(methylsulfonyl)amino]propylamino]prop-2-enoate is sourced from PubChem (CID 103241570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).