[2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine

C15H19N3O2S — CID 105286909

IUPAC[2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine
SMILESNNC(CC1CCS(=O)(=O)C1)c1cnc2ccccc2c1
InChIInChI=1S/C15H19N3O2S/c16-18-15(7-11-5-6-21(19,20)10-11)13-8-12-3-1-2-4-14(12)17-9-13/h1-4,8-9,11,15,18H,5-7,10,16H2
InChIKeyVNOFQFMWBBFPHT-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.56
Rot. Bonds4

About [2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine

[2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine (PubChem CID 105286909) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine
PubChem CID105286909
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine
SMILESNNC(CC1CCS(=O)(=O)C1)c1cnc2ccccc2c1
InChIInChI=1S/C15H19N3O2S/c16-18-15(7-11-5-6-21(19,20)10-11)13-8-12-3-1-2-4-14(12)17-9-13/h1-4,8-9,11,15,18H,5-7,10,16H2
InChIKeyVNOFQFMWBBFPHT-UHFFFAOYSA-N
XLogP1.56
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclobutyl-1-quinolin-3-ylethyl)hydrazine
CID 103170394
(1,1-dioxothiolan-3-yl)-quinolin-3-ylmethanamine
CID 115336525
2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine
CID 105172342
[2-(1,1-dioxothiolan-3-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105329744
1-quinolin-3-ylbutylhydrazine
CID 105202157
[2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine
CID 105292845
1-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-3-quinolin-3-ylurea
CID 95126841
N-methyl-1-quinolin-3-yl-2-(thian-4-yl)ethanamine
CID 105097613
(5-methyl-1-quinolin-3-ylhexyl)hydrazine
CID 114276904
(2-tert-butylsulfanyl-1-quinolin-3-ylethyl)hydrazine
CID 105226474
[2-(2-methylphenyl)-1-quinolin-3-ylethyl]hydrazine
CID 105208370
1-quinolin-3-ylnonylhydrazine
CID 105286952

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine?
The IUPAC name of [2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine (CID 105286909) is [2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine.
What is the SMILES notation for [2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine?
The canonical SMILES for [2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine is NNC(CC1CCS(=O)(=O)C1)c1cnc2ccccc2c1.
What is the InChIKey of [2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine?
The InChIKey is VNOFQFMWBBFPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-18-15(7-11-5-6-21(19,20)10-11)13-8-12-3-1-2-4-14(12)17-9-13/h1-4,8-9,11,15,18H,5-7,10,16H2.
What are the key properties of [2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine?
[2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine has a molecular weight of 305.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine is sourced from PubChem (CID 105286909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).