[2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine

C15H26N2OS — CID 105227278

IUPAC[2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine
SMILESCCCOc1ccc(C(CSC(C)CC)NN)cc1
InChIInChI=1S/C15H26N2OS/c1-4-10-18-14-8-6-13(7-9-14)15(17-16)11-19-12(3)5-2/h6-9,12,15,17H,4-5,10-11,16H2,1-3H3
InChIKeyQPKTYWWTEXRVHT-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.51
Rot. Bonds9

About [2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine

[2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine (PubChem CID 105227278) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is [2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine
PubChem CID105227278
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name[2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine
SMILESCCCOc1ccc(C(CSC(C)CC)NN)cc1
InChIInChI=1S/C15H26N2OS/c1-4-10-18-14-8-6-13(7-9-14)15(17-16)11-19-12(3)5-2/h6-9,12,15,17H,4-5,10-11,16H2,1-3H3
InChIKeyQPKTYWWTEXRVHT-UHFFFAOYSA-N
XLogP3.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.51
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-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613214
1-(4-butoxyphenyl)pentylhydrazine
CID 105293831
[4-chloro-1-(4-propoxyphenyl)butyl]hydrazine
CID 105235769
[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine
CID 98014048
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
[2-butan-2-ylsulfanyl-1-(furan-3-yl)ethyl]hydrazine
CID 105227274
2-butan-2-ylsulfanyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64613215
[1-(4-propoxyphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212522
[2-cycloheptyl-1-(4-propoxyphenyl)ethyl]hydrazine
CID 105303625
[3-cyclopentyl-1-(4-propoxyphenyl)propyl]hydrazine
CID 105303675
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
2-(butan-2-ylamino)-2-(4-propoxyphenyl)ethanol
CID 62496976

Frequently Asked Questions

What is the IUPAC name of [2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine?
The IUPAC name of [2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine (CID 105227278) is [2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine is CCCOc1ccc(C(CSC(C)CC)NN)cc1.
What is the InChIKey of [2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine?
The InChIKey is QPKTYWWTEXRVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-4-10-18-14-8-6-13(7-9-14)15(17-16)11-19-12(3)5-2/h6-9,12,15,17H,4-5,10-11,16H2,1-3H3.
What are the key properties of [2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine?
[2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine has a molecular weight of 282.45 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butan-2-ylsulfanyl-1-(4-propoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105227278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).