2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide

C10H18N4O2S2 — CID 91317389

IUPAC2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide
SMILESC/C(=N\CCSSCC/N=C(\C)C(N)=O)C(N)=O
InChIInChI=1S/C10H18N4O2S2/c1-7(9(11)15)13-3-5-17-18-6-4-14-8(2)10(12)16/h3-6H2,1-2H3,(H2,11,15)(H2,12,16)/b13-7+,14-8+
InChIKeyUDZVBXOTHLBVMR-FNCQTZNRSA-N
MW290.41 g/mol
LogP0.26
Rot. Bonds9

About 2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide

2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide (PubChem CID 91317389) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide.

Molecular Properties

Compound Name2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide
PubChem CID91317389
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide
SMILESC/C(=N\CCSSCC/N=C(\C)C(N)=O)C(N)=O
InChIInChI=1S/C10H18N4O2S2/c1-7(9(11)15)13-3-5-17-18-6-4-14-8(2)10(12)16/h3-6H2,1-2H3,(H2,11,15)(H2,12,16)/b13-7+,14-8+
InChIKeyUDZVBXOTHLBVMR-FNCQTZNRSA-N
XLogP0.26
TPSA110.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide?
The IUPAC name of 2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide (CID 91317389) is 2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide.
What is the SMILES notation for 2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide?
The canonical SMILES for 2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide is C/C(=N\CCSSCC/N=C(\C)C(N)=O)C(N)=O.
What is the InChIKey of 2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide?
The InChIKey is UDZVBXOTHLBVMR-FNCQTZNRSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-7(9(11)15)13-3-5-17-18-6-4-14-8(2)10(12)16/h3-6H2,1-2H3,(H2,11,15)(H2,12,16)/b13-7+,14-8+.
What are the key properties of 2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide?
2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide has a molecular weight of 290.41 g/mol, XLogP of 0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide is sourced from PubChem (CID 91317389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).