1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide

C12H16N2O3S — CID 116844192

IUPAC1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide
SMILESCCS(=O)(=O)c1ccc(C2(C(=O)NN)CC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-2-18(16,17)10-5-3-9(4-6-10)12(7-8-12)11(15)14-13/h3-6H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyAFQRNZZZSXGRDJ-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.50
Rot. Bonds4

About 1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide

1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide (PubChem CID 116844192) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide
PubChem CID116844192
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide
SMILESCCS(=O)(=O)c1ccc(C2(C(=O)NN)CC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-2-18(16,17)10-5-3-9(4-6-10)12(7-8-12)11(15)14-13/h3-6H,2,7-8,13H2,1H3,(H,14,15)
InChIKeyAFQRNZZZSXGRDJ-UHFFFAOYSA-N
XLogP0.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
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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Related Compounds

1-(4-ethylphenyl)cyclobutane-1-carbohydrazide
CID 116844257
1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide
CID 116844123
1-amino-3-[(4-ethylsulfonylphenyl)methyl]urea
CID 115192674
1-(4-ethoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844292
1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 65466585
4-(4-propylphenyl)oxane-4-carbohydrazide
CID 116844573
1-(4-methylsulfanylphenyl)cyclobutane-1-carbohydrazide
CID 116844330
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 122655414
[1-(4-ethylsulfonylphenyl)cyclopentyl]methanamine
CID 82501815
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198226
1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 112558591

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide?
The IUPAC name of 1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide (CID 116844192) is 1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide is CCS(=O)(=O)c1ccc(C2(C(=O)NN)CC2)cc1.
What is the InChIKey of 1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide?
The InChIKey is AFQRNZZZSXGRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-2-18(16,17)10-5-3-9(4-6-10)12(7-8-12)11(15)14-13/h3-6H,2,7-8,13H2,1H3,(H,14,15).
What are the key properties of 1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide?
1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide has a molecular weight of 268.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide is sourced from PubChem (CID 116844192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).