3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide

C10H20N6O4S2 — CID 25196764

IUPAC3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide
SMILESNNC(=O)CC(=O)NCCSSCCNC(=O)CC(=O)NN
InChIInChI=1S/C10H20N6O4S2/c11-15-9(19)5-7(17)13-1-3-21-22-4-2-14-8(18)6-10(20)16-12/h1-6,11-12H2,(H,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKeyAPFMAKHXSBHQBY-UHFFFAOYSA-N
MW352.44 g/mol
LogP-2.64
Rot. Bonds11

About 3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide

3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide (PubChem CID 25196764) has the molecular formula C10H20N6O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide.

Molecular Properties

Compound Name3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide
PubChem CID25196764
Molecular FormulaC10H20N6O4S2
Molecular Weight352.44 g/mol
Exact Mass352.10
IUPAC Name3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide
SMILESNNC(=O)CC(=O)NCCSSCCNC(=O)CC(=O)NN
InChIInChI=1S/C10H20N6O4S2/c11-15-9(19)5-7(17)13-1-3-21-22-4-2-14-8(18)6-10(20)16-12/h1-6,11-12H2,(H,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKeyAPFMAKHXSBHQBY-UHFFFAOYSA-N
XLogP-2.64
TPSA168.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 5-2.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide?
The IUPAC name of 3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide (CID 25196764) is 3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide.
What is the SMILES notation for 3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide?
The canonical SMILES for 3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide is NNC(=O)CC(=O)NCCSSCCNC(=O)CC(=O)NN.
What is the InChIKey of 3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide?
The InChIKey is APFMAKHXSBHQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O4S2/c11-15-9(19)5-7(17)13-1-3-21-22-4-2-14-8(18)6-10(20)16-12/h1-6,11-12H2,(H,13,17)(H,14,18)(H,15,19)(H,16,20).
What are the key properties of 3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide?
3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide has a molecular weight of 352.44 g/mol, XLogP of -2.64, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-[2-[2-[(3-hydrazinyl-3-oxopropanoyl)amino]ethyldisulfanyl]ethyl]-3-oxopropanamide is sourced from PubChem (CID 25196764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).