[5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine

C13H22N2OS — CID 105237458

IUPAC[5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine
SMILESCOCCCC(CSc1ccccc1C)NN
InChIInChI=1S/C13H22N2OS/c1-11-6-3-4-8-13(11)17-10-12(15-14)7-5-9-16-2/h3-4,6,8,12,15H,5,7,9-10,14H2,1-2H3
InChIKeyVGJUDDSWBIBHEP-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.35
Rot. Bonds8

About [5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine

[5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine (PubChem CID 105237458) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine
PubChem CID105237458
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine
SMILESCOCCCC(CSc1ccccc1C)NN
InChIInChI=1S/C13H22N2OS/c1-11-6-3-4-8-13(11)17-10-12(15-14)7-5-9-16-2/h3-4,6,8,12,15H,5,7,9-10,14H2,1-2H3
InChIKeyVGJUDDSWBIBHEP-UHFFFAOYSA-N
XLogP2.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(2-methylphenyl)sulfanyl-4-phenylbutan-2-yl]hydrazine
CID 105237337
[1-(4-bromophenyl)sulfanyl-5-methoxypentan-2-yl]hydrazine
CID 105236006
(6-methoxy-1-phenylhexan-3-yl)hydrazine
CID 105205746
5-methoxy-N-methyl-1-phenylsulfanylpentan-2-amine
CID 115646803
[1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-yl]hydrazine
CID 105237720
[4-(1-methylimidazol-2-yl)-1-(2-methylphenyl)sulfanylbutan-2-yl]hydrazine
CID 105237457
[2-(2-methylphenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105237305
[1-(2-bromophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105238259
1-(2-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 66098448
[1-(2-chlorophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105237772
(5-methoxy-1-propylsulfanylpentan-2-yl)hydrazine
CID 105225805
N-methyl-1-(2-methylphenyl)sulfanylhept-6-en-2-amine
CID 66098431

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine?
The IUPAC name of [5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine (CID 105237458) is [5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine.
What is the SMILES notation for [5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine?
The canonical SMILES for [5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine is COCCCC(CSc1ccccc1C)NN.
What is the InChIKey of [5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine?
The InChIKey is VGJUDDSWBIBHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-11-6-3-4-8-13(11)17-10-12(15-14)7-5-9-16-2/h3-4,6,8,12,15H,5,7,9-10,14H2,1-2H3.
What are the key properties of [5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine?
[5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine has a molecular weight of 254.40 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-1-(2-methylphenyl)sulfanylpentan-2-yl]hydrazine is sourced from PubChem (CID 105237458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).