[2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine

C14H22N2OS — CID 107139592

IUPAC[2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine
SMILESCc1ccc(SCC(NN)C2CCCOC2)cc1
InChIInChI=1S/C14H22N2OS/c1-11-4-6-13(7-5-11)18-10-14(16-15)12-3-2-8-17-9-12/h4-7,12,14,16H,2-3,8-10,15H2,1H3
InChIKeyMKQFGYPGUYWZFA-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.35
Rot. Bonds5

About [2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine

[2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine (PubChem CID 107139592) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine
PubChem CID107139592
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine
SMILESCc1ccc(SCC(NN)C2CCCOC2)cc1
InChIInChI=1S/C14H22N2OS/c1-11-4-6-13(7-5-11)18-10-14(16-15)12-3-2-8-17-9-12/h4-7,12,14,16H,2-3,8-10,15H2,1H3
InChIKeyMKQFGYPGUYWZFA-UHFFFAOYSA-N
XLogP2.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine (CID 107139592) is [2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine is Cc1ccc(SCC(NN)C2CCCOC2)cc1.
What is the InChIKey of [2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine?
The InChIKey is MKQFGYPGUYWZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-4-6-13(7-5-11)18-10-14(16-15)12-3-2-8-17-9-12/h4-7,12,14,16H,2-3,8-10,15H2,1H3.
What are the key properties of [2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine?
[2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine has a molecular weight of 266.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)sulfanyl-1-(oxan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 107139592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).