3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide

C7H15F2N3OS — CID 165462152

IUPAC3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide
SMILESCC(C)(N)CSCC(F)(F)C(=O)NN
InChIInChI=1S/C7H15F2N3OS/c1-6(2,10)3-14-4-7(8,9)5(13)12-11/h3-4,10-11H2,1-2H3,(H,12,13)
InChIKeyYHVBAATXLHHPGN-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.08
Rot. Bonds5

About 3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide

3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide (PubChem CID 165462152) has the molecular formula C7H15F2N3OS and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide
PubChem CID165462152
Molecular FormulaC7H15F2N3OS
Molecular Weight227.28 g/mol
Exact Mass227.09
IUPAC Name3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide
SMILESCC(C)(N)CSCC(F)(F)C(=O)NN
InChIInChI=1S/C7H15F2N3OS/c1-6(2,10)3-14-4-7(8,9)5(13)12-11/h3-4,10-11H2,1-2H3,(H,12,13)
InChIKeyYHVBAATXLHHPGN-UHFFFAOYSA-N
XLogP0.08
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide?
The IUPAC name of 3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide (CID 165462152) is 3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide?
The canonical SMILES for 3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide is CC(C)(N)CSCC(F)(F)C(=O)NN.
What is the InChIKey of 3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide?
The InChIKey is YHVBAATXLHHPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3OS/c1-6(2,10)3-14-4-7(8,9)5(13)12-11/h3-4,10-11H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide?
3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide has a molecular weight of 227.28 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)sulfanyl-2,2-difluoropropanehydrazide is sourced from PubChem (CID 165462152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).