[1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine

C13H21ClN2S — CID 105227316

IUPAC[1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine
SMILESCCC(C)SCC(Cc1cccc(Cl)c1)NN
InChIInChI=1S/C13H21ClN2S/c1-3-10(2)17-9-13(16-15)8-11-5-4-6-12(14)7-11/h4-7,10,13,16H,3,8-9,15H2,1-2H3
InChIKeyGCHLZOIEAINAKZ-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.25
Rot. Bonds7

About [1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine

[1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine (PubChem CID 105227316) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is [1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine
PubChem CID105227316
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name[1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine
SMILESCCC(C)SCC(Cc1cccc(Cl)c1)NN
InChIInChI=1S/C13H21ClN2S/c1-3-10(2)17-9-13(16-15)8-11-5-4-6-12(14)7-11/h4-7,10,13,16H,3,8-9,15H2,1-2H3
InChIKeyGCHLZOIEAINAKZ-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.25
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-butan-2-ylsulfanyl-3-(3-chlorophenyl)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-butan-2-ylsulfanyl-3-(3-chlorophenyl)-N-propylpropan-2-amine
CID 65136450
[1-(3-chlorophenyl)-4-methylhexan-2-yl]hydrazine
CID 105195012
[1-(3-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237759
[1-butan-2-ylsulfanyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
CID 105227140
[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105237861
[1-(3-chlorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105194822
[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283445
[1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 105225978
[1-(3-chlorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105283444
1-(3-chlorophenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62691555
1-(3-chlorophenyl)-N,4-dimethylhexan-2-amine
CID 62600516
1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65135913

Frequently Asked Questions

What is the IUPAC name of [1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine (CID 105227316) is [1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine is CCC(C)SCC(Cc1cccc(Cl)c1)NN.
What is the InChIKey of [1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine?
The InChIKey is GCHLZOIEAINAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-3-10(2)17-9-13(16-15)8-11-5-4-6-12(14)7-11/h4-7,10,13,16H,3,8-9,15H2,1-2H3.
What are the key properties of [1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine?
[1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine has a molecular weight of 272.84 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105227316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).