[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine

C13H21N5O2S — CID 79165396

IUPAC[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine
SMILESCN1C2CCC1CN(S(=O)(=O)c1cnccc1NN)CC2
InChIInChI=1S/C13H21N5O2S/c1-17-10-2-3-11(17)9-18(7-5-10)21(19,20)13-8-15-6-4-12(13)16-14/h4,6,8,10-11H,2-3,5,7,9,14H2,1H3,(H,15,16)
InChIKeyYQWMQNQPDUFKNK-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.22
Rot. Bonds3

About [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine

[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine (PubChem CID 79165396) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine
PubChem CID79165396
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine
SMILESCN1C2CCC1CN(S(=O)(=O)c1cnccc1NN)CC2
InChIInChI=1S/C13H21N5O2S/c1-17-10-2-3-11(17)9-18(7-5-10)21(19,20)13-8-15-6-4-12(13)16-14/h4,6,8,10-11H,2-3,5,7,9,14H2,1H3,(H,15,16)
InChIKeyYQWMQNQPDUFKNK-UHFFFAOYSA-N
XLogP0.22
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine?
The IUPAC name of [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine (CID 79165396) is [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine.
What is the SMILES notation for [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine?
The canonical SMILES for [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine is CN1C2CCC1CN(S(=O)(=O)c1cnccc1NN)CC2.
What is the InChIKey of [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine?
The InChIKey is YQWMQNQPDUFKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-17-10-2-3-11(17)9-18(7-5-10)21(19,20)13-8-15-6-4-12(13)16-14/h4,6,8,10-11H,2-3,5,7,9,14H2,1H3,(H,15,16).
What are the key properties of [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine?
[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine has a molecular weight of 311.41 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-4-pyridinyl]hydrazine is sourced from PubChem (CID 79165396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).