[quinolin-3-yl(thiolan-3-yl)methyl]hydrazine

C14H17N3S — CID 105286981

IUPAC[quinolin-3-yl(thiolan-3-yl)methyl]hydrazine
SMILESNNC(c1cnc2ccccc2c1)C1CCSC1
InChIInChI=1S/C14H17N3S/c15-17-14(11-5-6-18-9-11)12-7-10-3-1-2-4-13(10)16-8-12/h1-4,7-8,11,14,17H,5-6,9,15H2
InChIKeyDFBHWUWCEYMWOQ-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.49
Rot. Bonds3

About [quinolin-3-yl(thiolan-3-yl)methyl]hydrazine

[quinolin-3-yl(thiolan-3-yl)methyl]hydrazine (PubChem CID 105286981) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is [quinolin-3-yl(thiolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[quinolin-3-yl(thiolan-3-yl)methyl]hydrazine
PubChem CID105286981
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name[quinolin-3-yl(thiolan-3-yl)methyl]hydrazine
SMILESNNC(c1cnc2ccccc2c1)C1CCSC1
InChIInChI=1S/C14H17N3S/c15-17-14(11-5-6-18-9-11)12-7-10-3-1-2-4-13(10)16-8-12/h1-4,7-8,11,14,17H,5-6,9,15H2
InChIKeyDFBHWUWCEYMWOQ-UHFFFAOYSA-N
XLogP2.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.49
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

[oxolan-3-yl(quinolin-3-yl)methyl]hydrazine
CID 105229396
3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol
CID 91791309
[1-benzofuran-2-yl(thiolan-3-yl)methyl]hydrazine
CID 105337847
(2-cyclobutyl-1-quinolin-3-ylethyl)hydrazine
CID 103170394
N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine
CID 105097613
[quinolin-5-yl(thiolan-3-yl)methyl]hydrazine
CID 105327009
[(4-chlorophenyl)-(thiolan-3-yl)methyl]hydrazine
CID 105281249
N-[1,4-oxathian-2-yl(quinolin-3-yl)methyl]ethanamine
CID 79963246
[cyclopentyl(quinolin-6-yl)methyl]hydrazine
CID 105204471
[cyclopropyl(thieno[3,2-b]pyridin-6-yl)methyl]hydrazine
CID 105256331
N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine
CID 106445061
N-methyl-1-quinolin-7-yl-1-(thiolan-3-yl)methanamine
CID 105172644

Frequently Asked Questions

What is the IUPAC name of [quinolin-3-yl(thiolan-3-yl)methyl]hydrazine?
The IUPAC name of [quinolin-3-yl(thiolan-3-yl)methyl]hydrazine (CID 105286981) is [quinolin-3-yl(thiolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [quinolin-3-yl(thiolan-3-yl)methyl]hydrazine?
The canonical SMILES for [quinolin-3-yl(thiolan-3-yl)methyl]hydrazine is NNC(c1cnc2ccccc2c1)C1CCSC1.
What is the InChIKey of [quinolin-3-yl(thiolan-3-yl)methyl]hydrazine?
The InChIKey is DFBHWUWCEYMWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c15-17-14(11-5-6-18-9-11)12-7-10-3-1-2-4-13(10)16-8-12/h1-4,7-8,11,14,17H,5-6,9,15H2.
What are the key properties of [quinolin-3-yl(thiolan-3-yl)methyl]hydrazine?
[quinolin-3-yl(thiolan-3-yl)methyl]hydrazine has a molecular weight of 259.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [quinolin-3-yl(thiolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105286981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).