(1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine

C17H17N3S — CID 105228188

IUPAC(1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine
SMILESNNC(CSc1ccccc1)c1cccc2cnccc12
InChIInChI=1S/C17H17N3S/c18-20-17(12-21-14-6-2-1-3-7-14)16-8-4-5-13-11-19-10-9-15(13)16/h1-11,17,20H,12,18H2
InChIKeySXJJDVFKHGASIT-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.53
Rot. Bonds5

About (1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine

(1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine (PubChem CID 105228188) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is (1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine.

Molecular Properties

Compound Name(1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine
PubChem CID105228188
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name(1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine
SMILESNNC(CSc1ccccc1)c1cccc2cnccc12
InChIInChI=1S/C17H17N3S/c18-20-17(12-21-14-6-2-1-3-7-14)16-8-4-5-13-11-19-10-9-15(13)16/h1-11,17,20H,12,18H2
InChIKeySXJJDVFKHGASIT-UHFFFAOYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.53
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-naphthalen-1-yl-2-phenylsulfanylethyl)hydrazine
CID 105228218
(1-isoquinolin-5-yl-2-methylsulfanylethyl)hydrazine
CID 105213991
(1-isoquinolin-5-yl-3-pyridin-4-ylpropyl)hydrazine
CID 105303109
1-isoquinolin-8-yl-2-phenylsulfanylethanamine
CID 103137237
1-isoquinolin-8-yl-2-phenylsulfanylethanol
CID 103139302
[2-(4-chlorophenyl)-1-isoquinolin-5-ylethyl]hydrazine
CID 105197733
2-(4-bromophenyl)sulfanyl-1-isoquinolin-5-ylethanamine
CID 66055100
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
[isoquinolin-5-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105303091
1-isoquinolin-5-yl-2-(3-methylphenyl)sulfanylethanol
CID 66087167
(1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine
CID 105213889
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223

Frequently Asked Questions

What is the IUPAC name of (1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine?
The IUPAC name of (1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine (CID 105228188) is (1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine.
What is the SMILES notation for (1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine?
The canonical SMILES for (1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine is NNC(CSc1ccccc1)c1cccc2cnccc12.
What is the InChIKey of (1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine?
The InChIKey is SXJJDVFKHGASIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c18-20-17(12-21-14-6-2-1-3-7-14)16-8-4-5-13-11-19-10-9-15(13)16/h1-11,17,20H,12,18H2.
What are the key properties of (1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine?
(1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine has a molecular weight of 295.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine is sourced from PubChem (CID 105228188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).