3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide

C12H26N2O2S — CID 154948737

IUPAC3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide
SMILESCCNCCS(=O)CCC(=O)NCCC(C)C
InChIInChI=1S/C12H26N2O2S/c1-4-13-8-10-17(16)9-6-12(15)14-7-5-11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyZBVROPIMQKOUOU-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.90
Rot. Bonds10

About 3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide

3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide (PubChem CID 154948737) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide
PubChem CID154948737
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide
SMILESCCNCCS(=O)CCC(=O)NCCC(C)C
InChIInChI=1S/C12H26N2O2S/c1-4-13-8-10-17(16)9-6-12(15)14-7-5-11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15)
InChIKeyZBVROPIMQKOUOU-UHFFFAOYSA-N
XLogP0.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide 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-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide (CID 154948737) is 3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide is CCNCCS(=O)CCC(=O)NCCC(C)C.
What is the InChIKey of 3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide?
The InChIKey is ZBVROPIMQKOUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-13-8-10-17(16)9-6-12(15)14-7-5-11(2)3/h11,13H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide?
3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide has a molecular weight of 262.42 g/mol, XLogP of 0.90, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethylsulfinyl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 154948737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).