3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide

C11H20N4O4S2 — CID 87846748

IUPAC3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide
SMILESCCCN(NC(=O)C(CS)C(N)=O)C(=O)C(CS)C(N)=O
InChIInChI=1S/C11H20N4O4S2/c1-2-3-15(11(19)7(5-21)9(13)17)14-10(18)6(4-20)8(12)16/h6-7,20-21H,2-5H2,1H3,(H2,12,16)(H2,13,17)(H,14,18)
InChIKeyMXTMPMQWFSFJCP-UHFFFAOYSA-N
MW336.44 g/mol
LogP-1.68
Rot. Bonds8

About 3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide

3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide (PubChem CID 87846748) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide.

Molecular Properties

Compound Name3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide
PubChem CID87846748
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC Name3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide
SMILESCCCN(NC(=O)C(CS)C(N)=O)C(=O)C(CS)C(N)=O
InChIInChI=1S/C11H20N4O4S2/c1-2-3-15(11(19)7(5-21)9(13)17)14-10(18)6(4-20)8(12)16/h6-7,20-21H,2-5H2,1H3,(H2,12,16)(H2,13,17)(H,14,18)
InChIKeyMXTMPMQWFSFJCP-UHFFFAOYSA-N
XLogP-1.68
TPSA135.59 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-1.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide 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 3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide?
The IUPAC name of 3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide (CID 87846748) is 3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide.
What is the SMILES notation for 3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide?
The canonical SMILES for 3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide is CCCN(NC(=O)C(CS)C(N)=O)C(=O)C(CS)C(N)=O.
What is the InChIKey of 3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide?
The InChIKey is MXTMPMQWFSFJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-2-3-15(11(19)7(5-21)9(13)17)14-10(18)6(4-20)8(12)16/h6-7,20-21H,2-5H2,1H3,(H2,12,16)(H2,13,17)(H,14,18).
What are the key properties of 3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide?
3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide has a molecular weight of 336.44 g/mol, XLogP of -1.68, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-amino-3-oxo-2-(sulfanylmethyl)propanoyl]-2-propylhydrazinyl]-3-oxo-2-(sulfanylmethyl)propanamide is sourced from PubChem (CID 87846748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).