3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide

C10H20N2O3S2 — CID 21299924

IUPAC3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide
SMILESO=C(CCS)NCCOCCNC(=O)CCS
InChIInChI=1S/C10H20N2O3S2/c13-9(1-7-16)11-3-5-15-6-4-12-10(14)2-8-17/h16-17H,1-8H2,(H,11,13)(H,12,14)
InChIKeyXPPXEKDONJFECC-UHFFFAOYSA-N
MW280.41 g/mol
LogP-0.12
Rot. Bonds10

About 3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide

3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide (PubChem CID 21299924) has the molecular formula C10H20N2O3S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide
PubChem CID21299924
Molecular FormulaC10H20N2O3S2
Molecular Weight280.41 g/mol
Exact Mass280.09
IUPAC Name3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide
SMILESO=C(CCS)NCCOCCNC(=O)CCS
InChIInChI=1S/C10H20N2O3S2/c13-9(1-7-16)11-3-5-15-6-4-12-10(14)2-8-17/h16-17H,1-8H2,(H,11,13)(H,12,14)
InChIKeyXPPXEKDONJFECC-UHFFFAOYSA-N
XLogP-0.12
TPSA67.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide?
The IUPAC name of 3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide (CID 21299924) is 3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide is O=C(CCS)NCCOCCNC(=O)CCS.
What is the InChIKey of 3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide?
The InChIKey is XPPXEKDONJFECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S2/c13-9(1-7-16)11-3-5-15-6-4-12-10(14)2-8-17/h16-17H,1-8H2,(H,11,13)(H,12,14).
What are the key properties of 3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide?
3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide has a molecular weight of 280.41 g/mol, XLogP of -0.12, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-N-[2-[2-(3-sulfanylpropanoylamino)ethoxy]ethyl]propanamide is sourced from PubChem (CID 21299924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).