1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide

C12H16N2OS — CID 116844330

IUPAC1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide
SMILESCSc1ccc(C2(C(=O)NN)CCC2)cc1
InChIInChI=1S/C12H16N2OS/c1-16-10-5-3-9(4-6-10)12(7-2-8-12)11(15)14-13/h3-6H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyGKQZWSNVRNSMHC-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.82
Rot. Bonds3

About 1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide

1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide (PubChem CID 116844330) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide
PubChem CID116844330
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide
SMILESCSc1ccc(C2(C(=O)NN)CCC2)cc1
InChIInChI=1S/C12H16N2OS/c1-16-10-5-3-9(4-6-10)12(7-2-8-12)11(15)14-13/h3-6H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyGKQZWSNVRNSMHC-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

1-(4-ethylphenyl)cyclobutane-1-carbohydrazide
CID 116844257
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
1-(4-fluoro-3-methylphenyl)cyclobutane-1-carbohydrazide
CID 116844264
1-(4-ethoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844292
1-(3,4-dichlorophenyl)cyclobutane-1-carbohydrazide
CID 116844354
1-(3,4-dimethylphenyl)cyclohexane-1-carbohydrazide
CID 116844496
1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carbohydrazide
CID 116844349
1-(3,4-dihydro-2H-chromen-6-yl)cyclobutane-1-carbohydrazide
CID 116844327
1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide
CID 116844123
1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide
CID 116844192
1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbohydrazide
CID 116844399
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide?
The IUPAC name of 1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide (CID 116844330) is 1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide?
The canonical SMILES for 1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide is CSc1ccc(C2(C(=O)NN)CCC2)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide?
The InChIKey is GKQZWSNVRNSMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-16-10-5-3-9(4-6-10)12(7-2-8-12)11(15)14-13/h3-6H,2,7-8,13H2,1H3,(H,14,15).
What are the key properties of 1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide?
1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide has a molecular weight of 236.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide is sourced from PubChem (CID 116844330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).