N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide

C10H21NO3S — CID 59867060

IUPACN-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide
SMILESCCCOCCOCCNC(=O)CCS
InChIInChI=1S/C10H21NO3S/c1-2-5-13-7-8-14-6-4-11-10(12)3-9-15/h15H,2-9H2,1H3,(H,11,12)
InChIKeyDJROYVYPXYSRCS-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.87
Rot. Bonds10

About N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide

N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide (PubChem CID 59867060) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide
PubChem CID59867060
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide
SMILESCCCOCCOCCNC(=O)CCS
InChIInChI=1S/C10H21NO3S/c1-2-5-13-7-8-14-6-4-11-10(12)3-9-15/h15H,2-9H2,1H3,(H,11,12)
InChIKeyDJROYVYPXYSRCS-UHFFFAOYSA-N
XLogP0.87
TPSA47.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide 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 N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide (CID 59867060) is N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide is CCCOCCOCCNC(=O)CCS.
What is the InChIKey of N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide?
The InChIKey is DJROYVYPXYSRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-5-13-7-8-14-6-4-11-10(12)3-9-15/h15H,2-9H2,1H3,(H,11,12).
What are the key properties of N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide?
N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide has a molecular weight of 235.35 g/mol, XLogP of 0.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 59867060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).