[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine

C14H22N4O2S — CID 103301021

IUPAC[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine
SMILESNNc1cccnc1S(=O)(=O)N1CCCC2CCCCC21
InChIInChI=1S/C14H22N4O2S/c15-17-12-7-3-9-16-14(12)21(19,20)18-10-4-6-11-5-1-2-8-13(11)18/h3,7,9,11,13,17H,1-2,4-6,8,10,15H2
InChIKeyXLMZDKSMDPSNKR-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.71
Rot. Bonds3

About [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine

[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine (PubChem CID 103301021) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine
PubChem CID103301021
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine
SMILESNNc1cccnc1S(=O)(=O)N1CCCC2CCCCC21
InChIInChI=1S/C14H22N4O2S/c15-17-12-7-3-9-16-14(12)21(19,20)18-10-4-6-11-5-1-2-8-13(11)18/h3,7,9,11,13,17H,1-2,4-6,8,10,15H2
InChIKeyXLMZDKSMDPSNKR-UHFFFAOYSA-N
XLogP1.71
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.71
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'}

Analyze [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine with MolForge

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Related Compounds

2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-3-amine
CID 103307983
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)phenyl]hydrazine
CID 43628435
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]pyridin-2-amine
CID 102725260
[2-(4-methylpiperidin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103300836
[2-(4-cyclopropylpiperazin-1-yl)sulfonyl-3-pyridinyl]hydrazine
CID 103301085
3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-N-methylpyridin-2-amine
CID 102728064
1-[(3-hydrazinyl-2-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 103301477
[2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-3-pyridinyl]hydrazine
CID 103301600
1-[(2-chloro-3-pyridinyl)sulfonyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65318853
[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-pyridinyl]hydrazine
CID 103300872
N-ethyl-2-(2-methylpyrrolidin-1-yl)sulfonylpyridin-3-amine
CID 103302961
[1-[[3-(methylamino)-2-pyridinyl]sulfonyl]piperidin-2-yl]methanol
CID 103305482

Frequently Asked Questions

What is the IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine?
The IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine (CID 103301021) is [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine.
What is the SMILES notation for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine?
The canonical SMILES for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine is NNc1cccnc1S(=O)(=O)N1CCCC2CCCCC21.
What is the InChIKey of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine?
The InChIKey is XLMZDKSMDPSNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c15-17-12-7-3-9-16-14(12)21(19,20)18-10-4-6-11-5-1-2-8-13(11)18/h3,7,9,11,13,17H,1-2,4-6,8,10,15H2.
What are the key properties of [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine?
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine has a molecular weight of 310.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-3-pyridinyl]hydrazine is sourced from PubChem (CID 103301021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).