2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide

C6H13F2N3OS — CID 165462272

IUPAC2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide
SMILESCNCCSCC(F)(F)C(=O)NN
InChIInChI=1S/C6H13F2N3OS/c1-10-2-3-13-4-6(7,8)5(12)11-9/h10H,2-4,9H2,1H3,(H,11,12)
InChIKeyZOBIWYIRVDJRLM-UHFFFAOYSA-N
MW213.25 g/mol
LogP-0.44
Rot. Bonds6

About 2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide

2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide (PubChem CID 165462272) has the molecular formula C6H13F2N3OS and a molecular weight of 213.25 g/mol. Its IUPAC name is 2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide.

Molecular Properties

Compound Name2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide
PubChem CID165462272
Molecular FormulaC6H13F2N3OS
Molecular Weight213.25 g/mol
Exact Mass213.07
IUPAC Name2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide
SMILESCNCCSCC(F)(F)C(=O)NN
InChIInChI=1S/C6H13F2N3OS/c1-10-2-3-13-4-6(7,8)5(12)11-9/h10H,2-4,9H2,1H3,(H,11,12)
InChIKeyZOBIWYIRVDJRLM-UHFFFAOYSA-N
XLogP-0.44
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 5-0.44
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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Related Compounds

3-(3-aminobutylsulfanyl)-2,2-difluoropropanehydrazide
CID 165467274
3-(4-aminobutylsulfanyl)-2,2-difluoropropanehydrazide
CID 165462077
2,2-difluoro-3-(4-hydroxybutan-2-ylsulfanyl)propanehydrazide
CID 165467276
2,2-difluoro-3-[methyl(propyl)amino]propanehydrazide
CID 165463796
2-(2,2,2-trifluoroethylsulfanyl)ethylurea
CID 138991840
3-[2,2-difluoroethyl(methyl)amino]-2,2-difluoropropanehydrazide
CID 165463834
2-(methylamino)ethanol;2,2,2-trifluoroacetic acid
CID 173051239
2,2-difluoro-3-(3-methylbutan-2-yloxy)propanehydrazide
CID 165467492
2-ethylsulfanyl-N-methylethanamine
CID 18683899
3-(methylamino)propanehydrazide
CID 59203678
S-[2-(methylamino)ethyl] ethanethioate
CID 23093471
2-bromo-2,2-difluoroacetohydrazide
CID 15528645

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide?
The IUPAC name of 2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide (CID 165462272) is 2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide.
What is the SMILES notation for 2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide?
The canonical SMILES for 2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide is CNCCSCC(F)(F)C(=O)NN.
What is the InChIKey of 2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide?
The InChIKey is ZOBIWYIRVDJRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3OS/c1-10-2-3-13-4-6(7,8)5(12)11-9/h10H,2-4,9H2,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide?
2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide has a molecular weight of 213.25 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[2-(methylamino)ethylsulfanyl]propanehydrazide is sourced from PubChem (CID 165462272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).