3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide

C10H15N3OS — CID 79133494

IUPAC3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide
SMILESCC(CSc1cccc(N)c1)C(=O)NN
InChIInChI=1S/C10H15N3OS/c1-7(10(14)13-12)6-15-9-4-2-3-8(11)5-9/h2-5,7H,6,11-12H2,1H3,(H,13,14)
InChIKeyGAUQPECZZLEMKV-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.99
Rot. Bonds4

About 3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide

3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide (PubChem CID 79133494) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide
PubChem CID79133494
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide
SMILESCC(CSc1cccc(N)c1)C(=O)NN
InChIInChI=1S/C10H15N3OS/c1-7(10(14)13-12)6-15-9-4-2-3-8(11)5-9/h2-5,7H,6,11-12H2,1H3,(H,13,14)
InChIKeyGAUQPECZZLEMKV-UHFFFAOYSA-N
XLogP0.99
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.99
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide?
The IUPAC name of 3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide (CID 79133494) is 3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide.
What is the SMILES notation for 3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide?
The canonical SMILES for 3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide is CC(CSc1cccc(N)c1)C(=O)NN.
What is the InChIKey of 3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide?
The InChIKey is GAUQPECZZLEMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(10(14)13-12)6-15-9-4-2-3-8(11)5-9/h2-5,7H,6,11-12H2,1H3,(H,13,14).
What are the key properties of 3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide?
3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide has a molecular weight of 225.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)sulfanyl-2-methylpropanehydrazide is sourced from PubChem (CID 79133494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).