3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide

C6H11F2N3O2S — CID 165462273

IUPAC3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide
SMILESNNC(=O)C(F)(F)CSCCC(N)=O
InChIInChI=1S/C6H11F2N3O2S/c7-6(8,5(13)11-10)3-14-2-1-4(9)12/h1-3,10H2,(H2,9,12)(H,11,13)
InChIKeyYBJSFAYPRAETMM-UHFFFAOYSA-N
MW227.24 g/mol
LogP-0.78
Rot. Bonds6

About 3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide

3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide (PubChem CID 165462273) has the molecular formula C6H11F2N3O2S and a molecular weight of 227.24 g/mol. Its IUPAC name is 3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide
PubChem CID165462273
Molecular FormulaC6H11F2N3O2S
Molecular Weight227.24 g/mol
Exact Mass227.05
IUPAC Name3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide
SMILESNNC(=O)C(F)(F)CSCCC(N)=O
InChIInChI=1S/C6H11F2N3O2S/c7-6(8,5(13)11-10)3-14-2-1-4(9)12/h1-3,10H2,(H2,9,12)(H,11,13)
InChIKeyYBJSFAYPRAETMM-UHFFFAOYSA-N
XLogP-0.78
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide?
The IUPAC name of 3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide (CID 165462273) is 3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide.
What is the SMILES notation for 3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide?
The canonical SMILES for 3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide is NNC(=O)C(F)(F)CSCCC(N)=O.
What is the InChIKey of 3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide?
The InChIKey is YBJSFAYPRAETMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N3O2S/c7-6(8,5(13)11-10)3-14-2-1-4(9)12/h1-3,10H2,(H2,9,12)(H,11,13).
What are the key properties of 3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide?
3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide has a molecular weight of 227.24 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-3-hydrazinyl-3-oxopropyl)sulfanylpropanamide is sourced from PubChem (CID 165462273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).