[2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine

C16H26N2OS — CID 105227548

IUPAC[2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine
SMILESCC(C)Oc1ccccc1C(CSC1CCCC1)NN
InChIInChI=1S/C16H26N2OS/c1-12(2)19-16-10-6-5-9-14(16)15(18-17)11-20-13-7-3-4-8-13/h5-6,9-10,12-13,15,18H,3-4,7-8,11,17H2,1-2H3
InChIKeyPJDPEGDSFLLIOI-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.65
Rot. Bonds7

About [2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine

[2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine (PubChem CID 105227548) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is [2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine
PubChem CID105227548
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name[2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine
SMILESCC(C)Oc1ccccc1C(CSC1CCCC1)NN
InChIInChI=1S/C16H26N2OS/c1-12(2)19-16-10-6-5-9-14(16)15(18-17)11-20-13-7-3-4-8-13/h5-6,9-10,12-13,15,18H,3-4,7-8,11,17H2,1-2H3
InChIKeyPJDPEGDSFLLIOI-UHFFFAOYSA-N
XLogP3.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.65
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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Related Compounds

[2-cyclopentylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227580
[1-(2-propan-2-yloxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226155
[2-cyclopentylsulfanyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105227559
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
[2-phenyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105195296
[2-cyclopentyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191072
[2-cyclohexylsulfanyl-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105227725
[1-(1-benzothiophen-7-yl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105227744
[3-phenyl-1-(2-propan-2-yloxyphenyl)propyl]hydrazine
CID 105205730
3-hydrazinyl-N,N-dimethyl-3-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105259287
[2-cyclopentylsulfanyl-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105227501
[4-methoxy-1-(2-propan-2-yloxyphenyl)butyl]hydrazine
CID 105225070

Frequently Asked Questions

What is the IUPAC name of [2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine?
The IUPAC name of [2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine (CID 105227548) is [2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine?
The canonical SMILES for [2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine is CC(C)Oc1ccccc1C(CSC1CCCC1)NN.
What is the InChIKey of [2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine?
The InChIKey is PJDPEGDSFLLIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12(2)19-16-10-6-5-9-14(16)15(18-17)11-20-13-7-3-4-8-13/h5-6,9-10,12-13,15,18H,3-4,7-8,11,17H2,1-2H3.
What are the key properties of [2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine?
[2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine has a molecular weight of 294.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopentylsulfanyl-1-(2-propan-2-yloxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105227548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).