[1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine

C13H21FN2S — CID 105226349

IUPAC[1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine
SMILESCC(C)(C)SCC(Cc1ccc(F)cc1)NN
InChIInChI=1S/C13H21FN2S/c1-13(2,3)17-9-12(16-15)8-10-4-6-11(14)7-5-10/h4-7,12,16H,8-9,15H2,1-3H3
InChIKeyJGQCETCDQYLUMX-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.73
Rot. Bonds5

About [1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine

[1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine (PubChem CID 105226349) has the molecular formula C13H21FN2S and a molecular weight of 256.39 g/mol. Its IUPAC name is [1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine
PubChem CID105226349
Molecular FormulaC13H21FN2S
Molecular Weight256.39 g/mol
Exact Mass256.14
IUPAC Name[1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine
SMILESCC(C)(C)SCC(Cc1ccc(F)cc1)NN
InChIInChI=1S/C13H21FN2S/c1-13(2,3)17-9-12(16-15)8-10-4-6-11(14)7-5-10/h4-7,12,16H,8-9,15H2,1-3H3
InChIKeyJGQCETCDQYLUMX-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-tert-butylsulfanyl-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105226612
[1-(3,5-dimethylphenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198260
(1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-yl)hydrazine
CID 105226579
1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine
CID 65132386
[1-(4-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274321
1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65133115
[1-(2,6-difluorophenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198434
[1-(4-fluorophenyl)-5-methylhex-5-en-2-yl]hydrazine
CID 105198284
[1-tert-butylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105226562
1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 65133020
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413
1-tert-butylsulfanyl-3-(3,5-difluorophenyl)-N-propylpropan-2-amine
CID 105406268

Frequently Asked Questions

What is the IUPAC name of [1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine (CID 105226349) is [1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine is CC(C)(C)SCC(Cc1ccc(F)cc1)NN.
What is the InChIKey of [1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine?
The InChIKey is JGQCETCDQYLUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2S/c1-13(2,3)17-9-12(16-15)8-10-4-6-11(14)7-5-10/h4-7,12,16H,8-9,15H2,1-3H3.
What are the key properties of [1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine?
[1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine has a molecular weight of 256.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105226349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).