[cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine

C13H20N2S — CID 105282437

IUPAC[cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine
SMILESCSc1ccccc1C(NN)C1CCCC1
InChIInChI=1S/C13H20N2S/c1-16-12-9-5-4-8-11(12)13(15-14)10-6-2-3-7-10/h4-5,8-10,13,15H,2-3,6-7,14H2,1H3
InChIKeyPTTIYARYMHHTEB-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.10
Rot. Bonds4

About [cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine

[cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine (PubChem CID 105282437) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is [cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine
PubChem CID105282437
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name[cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine
SMILESCSc1ccccc1C(NN)C1CCCC1
InChIInChI=1S/C13H20N2S/c1-16-12-9-5-4-8-11(12)13(15-14)10-6-2-3-7-10/h4-5,8-10,13,15H,2-3,6-7,14H2,1H3
InChIKeyPTTIYARYMHHTEB-UHFFFAOYSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[cyclooctyl-(2-methylphenyl)methyl]hydrazine
CID 105254975
[(2-chlorophenyl)-cyclopentylmethyl]hydrazine
CID 91756387
[cyclohexyl-(2-ethylphenyl)methyl]hydrazine
CID 105282130
[cycloheptyl-(2,3-difluorophenyl)methyl]hydrazine
CID 105231971
[cyclooctyl-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516472
3-[cyclopentyl(hydrazinyl)methyl]pyridin-2-amine
CID 105204361
[(2-bromo-3-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105340099
[1-benzofuran-3-yl(cyclohexyl)methyl]hydrazine
CID 105262439
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
[cyclooctyl-(2,5-difluorophenyl)methyl]hydrazine
CID 105255093
[cyclohexyl-(2,5-dimethylphenyl)methyl]hydrazine
CID 105201807
2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline
CID 105263116

Frequently Asked Questions

What is the IUPAC name of [cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine?
The IUPAC name of [cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine (CID 105282437) is [cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine.
What is the SMILES notation for [cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine?
The canonical SMILES for [cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine is CSc1ccccc1C(NN)C1CCCC1.
What is the InChIKey of [cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine?
The InChIKey is PTTIYARYMHHTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-16-12-9-5-4-8-11(12)13(15-14)10-6-2-3-7-10/h4-5,8-10,13,15H,2-3,6-7,14H2,1H3.
What are the key properties of [cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine?
[cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine has a molecular weight of 236.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopentyl-(2-methylsulfanylphenyl)methyl]hydrazine is sourced from PubChem (CID 105282437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).