3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide

C11H23N3O2S4 — CID 20813438

IUPAC3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide
SMILESCN(C(=O)CCSSCCN)C(=O)CCSSCCN
InChIInChI=1S/C11H23N3O2S4/c1-14(10(15)2-6-17-19-8-4-12)11(16)3-7-18-20-9-5-13/h2-9,12-13H2,1H3
InChIKeyLXHGRTUSNARYOY-UHFFFAOYSA-N
MW357.59 g/mol
LogP1.43
Rot. Bonds12

About 3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide

3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide (PubChem CID 20813438) has the molecular formula C11H23N3O2S4 and a molecular weight of 357.59 g/mol. Its IUPAC name is 3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide
PubChem CID20813438
Molecular FormulaC11H23N3O2S4
Molecular Weight357.59 g/mol
Exact Mass357.07
IUPAC Name3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide
SMILESCN(C(=O)CCSSCCN)C(=O)CCSSCCN
InChIInChI=1S/C11H23N3O2S4/c1-14(10(15)2-6-17-19-8-4-12)11(16)3-7-18-20-9-5-13/h2-9,12-13H2,1H3
InChIKeyLXHGRTUSNARYOY-UHFFFAOYSA-N
XLogP1.43
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.59
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide?
The IUPAC name of 3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide (CID 20813438) is 3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide is CN(C(=O)CCSSCCN)C(=O)CCSSCCN.
What is the InChIKey of 3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide?
The InChIKey is LXHGRTUSNARYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S4/c1-14(10(15)2-6-17-19-8-4-12)11(16)3-7-18-20-9-5-13/h2-9,12-13H2,1H3.
What are the key properties of 3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide?
3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide has a molecular weight of 357.59 g/mol, XLogP of 1.43, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyldisulfanyl)-N-[3-(2-aminoethyldisulfanyl)propanoyl]-N-methylpropanamide is sourced from PubChem (CID 20813438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).