[3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine

C16H21N3S — CID 62250641

IUPAC[3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine
SMILESNNc1nc2ccccc2cc1CSC1CCCCC1
InChIInChI=1S/C16H21N3S/c17-19-16-13(11-20-14-7-2-1-3-8-14)10-12-6-4-5-9-15(12)18-16/h4-6,9-10,14H,1-3,7-8,11,17H2,(H,18,19)
InChIKeyVUCSHXRVXKMMQS-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.09
Rot. Bonds4

About [3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine

[3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine (PubChem CID 62250641) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is [3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine
PubChem CID62250641
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name[3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine
SMILESNNc1nc2ccccc2cc1CSC1CCCCC1
InChIInChI=1S/C16H21N3S/c17-19-16-13(11-20-14-7-2-1-3-8-14)10-12-6-4-5-9-15(12)18-16/h4-6,9-10,14H,1-3,7-8,11,17H2,(H,18,19)
InChIKeyVUCSHXRVXKMMQS-UHFFFAOYSA-N
XLogP4.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.09
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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Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine?
The IUPAC name of [3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine (CID 62250641) is [3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine.
What is the SMILES notation for [3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine?
The canonical SMILES for [3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine is NNc1nc2ccccc2cc1CSC1CCCCC1.
What is the InChIKey of [3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine?
The InChIKey is VUCSHXRVXKMMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c17-19-16-13(11-20-14-7-2-1-3-8-14)10-12-6-4-5-9-15(12)18-16/h4-6,9-10,14H,1-3,7-8,11,17H2,(H,18,19).
What are the key properties of [3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine?
[3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine has a molecular weight of 287.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylsulfanylmethyl)quinolin-2-yl]hydrazine is sourced from PubChem (CID 62250641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).