(2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine

C15H21N3S — CID 105226474

IUPAC(2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine
SMILESCC(C)(C)SCC(NN)c1cnc2ccccc2c1
InChIInChI=1S/C15H21N3S/c1-15(2,3)19-10-14(18-16)12-8-11-6-4-5-7-13(11)17-9-12/h4-9,14,18H,10,16H2,1-3H3
InChIKeyLFXYJVIRZDMUKH-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.27
Rot. Bonds4

About (2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine

(2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine (PubChem CID 105226474) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is (2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine.

Molecular Properties

Compound Name(2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine
PubChem CID105226474
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name(2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine
SMILESCC(C)(C)SCC(NN)c1cnc2ccccc2c1
InChIInChI=1S/C15H21N3S/c1-15(2,3)19-10-14(18-16)12-8-11-6-4-5-7-13(11)17-9-12/h4-9,14,18H,10,16H2,1-3H3
InChIKeyLFXYJVIRZDMUKH-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.27
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

1-quinolin-3-ylbutylhydrazine
CID 105202157
(5-methyl-1-quinolin-3-ylhexyl)hydrazine
CID 114276904
1-quinolin-3-ylnonylhydrazine
CID 105286952
[2-(2-methylphenyl)-1-quinolin-3-ylethyl]hydrazine
CID 105208370
(3-phenyl-1-quinolin-3-ylpropyl)hydrazine
CID 105205700
1-hydrazinyl-N,N,2-trimethyl-1-quinolin-3-ylpropan-2-amine
CID 105238985
(2-ethoxy-2-methyl-1-quinolin-3-ylpropyl)hydrazine
CID 105274101
(2-cyclobutyl-1-quinolin-3-ylethyl)hydrazine
CID 103170394
[2-(3-methylphenyl)-1-quinolin-3-ylethyl]hydrazine
CID 105208945
(2-ethoxy-2-ethyl-1-quinolin-3-ylbutyl)hydrazine
CID 105275103
[2-tert-butylsulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105226545
N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine
CID 65127903

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine?
The IUPAC name of (2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine (CID 105226474) is (2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine.
What is the SMILES notation for (2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine?
The canonical SMILES for (2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine is CC(C)(C)SCC(NN)c1cnc2ccccc2c1.
What is the InChIKey of (2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine?
The InChIKey is LFXYJVIRZDMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-15(2,3)19-10-14(18-16)12-8-11-6-4-5-7-13(11)17-9-12/h4-9,14,18H,10,16H2,1-3H3.
What are the key properties of (2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine?
(2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine has a molecular weight of 275.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine is sourced from PubChem (CID 105226474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).