2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide

C12H24N2O2S — CID 63915493

IUPAC2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide
SMILESCCCNC(CSCCOC)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2O2S/c1-3-6-14-12(11(13)15,10-4-5-10)9-17-8-7-16-2/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyUBITVCNUOKRSLD-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.00
Rot. Bonds10

About 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide

2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide (PubChem CID 63915493) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide
PubChem CID63915493
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide
SMILESCCCNC(CSCCOC)(C(N)=O)C1CC1
InChIInChI=1S/C12H24N2O2S/c1-3-6-14-12(11(13)15,10-4-5-10)9-17-8-7-16-2/h10,14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyUBITVCNUOKRSLD-UHFFFAOYSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)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 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide?
The IUPAC name of 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide (CID 63915493) is 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide is CCCNC(CSCCOC)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide?
The InChIKey is UBITVCNUOKRSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-6-14-12(11(13)15,10-4-5-10)9-17-8-7-16-2/h10,14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide?
2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide has a molecular weight of 260.40 g/mol, XLogP of 1.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methoxyethylsulfanyl)-2-(propylamino)propanamide is sourced from PubChem (CID 63915493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).