(4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine

C15H21N3O2S — CID 105310780

IUPAC(4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine
SMILESCCS(=O)(=O)CCCC(NN)c1cccc2ncccc12
InChIInChI=1S/C15H21N3O2S/c1-2-21(19,20)11-5-9-15(18-16)13-6-3-8-14-12(13)7-4-10-17-14/h3-4,6-8,10,15,18H,2,5,9,11,16H2,1H3
InChIKeyOWIDTJDKJWFPSJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.95
Rot. Bonds7

About (4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine

(4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine (PubChem CID 105310780) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine.

Molecular Properties

Compound Name(4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine
PubChem CID105310780
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine
SMILESCCS(=O)(=O)CCCC(NN)c1cccc2ncccc12
InChIInChI=1S/C15H21N3O2S/c1-2-21(19,20)11-5-9-15(18-16)13-6-3-8-14-12(13)7-4-10-17-14/h3-4,6-8,10,15,18H,2,5,9,11,16H2,1H3
InChIKeyOWIDTJDKJWFPSJ-UHFFFAOYSA-N
XLogP1.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.95
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

1-quinolin-5-ylpentylhydrazine
CID 105245773
4-ethylsulfonyl-1-quinolin-5-ylbutan-1-amine
CID 105152572
(3-methylsulfonyl-1-quinolin-4-ylpropyl)hydrazine
CID 114985018
(2-ethylsulfanyl-1-quinolin-5-ylethyl)hydrazine
CID 105225457
N-ethyl-1-quinolin-5-ylpentan-1-amine
CID 81231643
N-ethyl-1-quinolin-5-ylhexan-1-amine
CID 105020078
1-quinolin-5-ylpent-3-ynylhydrazine
CID 105290528
[1-(3-bromo-2-fluorophenyl)-4-ethylsulfonylbutyl]hydrazine
CID 107954240
(2-tert-butylsulfanyl-1-quinolin-5-ylethyl)hydrazine
CID 105226551
(3-methoxy-3-methyl-1-quinolin-5-ylbutyl)hydrazine
CID 103025431
(2-phenoxy-1-quinolin-5-ylethyl)hydrazine
CID 105213090
[(3-ethyl-2-pyridinyl)-quinolin-5-ylmethyl]hydrazine
CID 105263880

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine?
The IUPAC name of (4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine (CID 105310780) is (4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine.
What is the SMILES notation for (4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine?
The canonical SMILES for (4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine is CCS(=O)(=O)CCCC(NN)c1cccc2ncccc12.
What is the InChIKey of (4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine?
The InChIKey is OWIDTJDKJWFPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-21(19,20)11-5-9-15(18-16)13-6-3-8-14-12(13)7-4-10-17-14/h3-4,6-8,10,15,18H,2,5,9,11,16H2,1H3.
What are the key properties of (4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine?
(4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine has a molecular weight of 307.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonyl-1-quinolin-5-ylbutyl)hydrazine is sourced from PubChem (CID 105310780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).