3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide

C12H19N3OS — CID 79631389

IUPAC3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide
SMILESCc1ccc(N)cc1SCC(C)(C)C(=O)NN
InChIInChI=1S/C12H19N3OS/c1-8-4-5-9(13)6-10(8)17-7-12(2,3)11(16)15-14/h4-6H,7,13-14H2,1-3H3,(H,15,16)
InChIKeyQAJLJNYOMNXOHT-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.69
Rot. Bonds4

About 3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide

3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide (PubChem CID 79631389) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide
PubChem CID79631389
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide
SMILESCc1ccc(N)cc1SCC(C)(C)C(=O)NN
InChIInChI=1S/C12H19N3OS/c1-8-4-5-9(13)6-10(8)17-7-12(2,3)11(16)15-14/h4-6H,7,13-14H2,1-3H3,(H,15,16)
InChIKeyQAJLJNYOMNXOHT-UHFFFAOYSA-N
XLogP1.69
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629846
3-(3-aminophenyl)sulfanyl-2,2-dimethylpropanehydrazide
CID 79631100
2-(5-amino-2-methylphenyl)sulfanyl-N-tert-butylacetamide
CID 79140774
4-methyl-3-(2,2,2-trifluoroethylsulfanyl)aniline
CID 79141260
3-(5-amino-2-methylphenyl)sulfanyl-N-methylpropanamide
CID 79140974
3-[(5-amino-2-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 79141449
2-(5-amino-2-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79141959
methyl 3-(4-amino-2-chlorophenyl)sulfanyl-2,2-dimethylpropanoate
CID 79629629
2-(5-amino-2-methylphenyl)sulfanyl-N-(cyanomethyl)acetamide
CID 79141432
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
3-(5-amino-2-methylanilino)-N,2,2-trimethylpropanamide
CID 106275307
4-(5-amino-2-methylphenyl)sulfanyl-3-hydroxybutanoic acid
CID 82777479

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide (CID 79631389) is 3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide is Cc1ccc(N)cc1SCC(C)(C)C(=O)NN.
What is the InChIKey of 3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide?
The InChIKey is QAJLJNYOMNXOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-4-5-9(13)6-10(8)17-7-12(2,3)11(16)15-14/h4-6H,7,13-14H2,1-3H3,(H,15,16).
What are the key properties of 3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide?
3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide has a molecular weight of 253.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methylphenyl)sulfanyl-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79631389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).