methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate

C10H22N2O4S — CID 54903395

IUPACmethyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate
SMILESCCN(CCCNCCC(=O)OC)S(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-4-12(17(3,14)15)9-5-7-11-8-6-10(13)16-2/h11H,4-9H2,1-3H3
InChIKeyZXFSVTLWKXVHHJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.19
Rot. Bonds9

About methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate

methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate (PubChem CID 54903395) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate
PubChem CID54903395
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namemethyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate
SMILESCCN(CCCNCCC(=O)OC)S(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-4-12(17(3,14)15)9-5-7-11-8-6-10(13)16-2/h11H,4-9H2,1-3H3
InChIKeyZXFSVTLWKXVHHJ-UHFFFAOYSA-N
XLogP-0.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate 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-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate?
The IUPAC name of methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate (CID 54903395) is methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate.
What is the SMILES notation for methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate?
The canonical SMILES for methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate is CCN(CCCNCCC(=O)OC)S(C)(=O)=O.
What is the InChIKey of methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate?
The InChIKey is ZXFSVTLWKXVHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-12(17(3,14)15)9-5-7-11-8-6-10(13)16-2/h11H,4-9H2,1-3H3.
What are the key properties of methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate?
methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate has a molecular weight of 266.36 g/mol, XLogP of -0.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[ethyl(methylsulfonyl)amino]propylamino]propanoate is sourced from PubChem (CID 54903395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).