2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide

C13H19N3OS — CID 55213439

IUPAC2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide
SMILESCN(Cc1ccccc1C(=O)NN)C1CCSC1
InChIInChI=1S/C13H19N3OS/c1-16(11-6-7-18-9-11)8-10-4-2-3-5-12(10)13(17)15-14/h2-5,11H,6-9,14H2,1H3,(H,15,17)
InChIKeyMUKKWOIAUNMIMA-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.23
Rot. Bonds4

About 2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide

2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide (PubChem CID 55213439) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide
PubChem CID55213439
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide
SMILESCN(Cc1ccccc1C(=O)NN)C1CCSC1
InChIInChI=1S/C13H19N3OS/c1-16(11-6-7-18-9-11)8-10-4-2-3-5-12(10)13(17)15-14/h2-5,11H,6-9,14H2,1H3,(H,15,17)
InChIKeyMUKKWOIAUNMIMA-UHFFFAOYSA-N
XLogP1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.23
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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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide?
The IUPAC name of 2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide (CID 55213439) is 2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide.
What is the SMILES notation for 2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide?
The canonical SMILES for 2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide is CN(Cc1ccccc1C(=O)NN)C1CCSC1.
What is the InChIKey of 2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide?
The InChIKey is MUKKWOIAUNMIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16(11-6-7-18-9-11)8-10-4-2-3-5-12(10)13(17)15-14/h2-5,11H,6-9,14H2,1H3,(H,15,17).
What are the key properties of 2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide?
2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide has a molecular weight of 265.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(thiolan-3-yl)amino]methyl]benzohydrazide is sourced from PubChem (CID 55213439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).