[3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine

C13H22N4O2S — CID 65282984

IUPAC[3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine
SMILESCC1(C)CCCN(S(=O)(=O)c2cnccc2NN)CC1
InChIInChI=1S/C13H22N4O2S/c1-13(2)5-3-8-17(9-6-13)20(18,19)12-10-15-7-4-11(12)16-14/h4,7,10H,3,5-6,8-9,14H2,1-2H3,(H,15,16)
InChIKeyHCWOXFFHNSJXTR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.57
Rot. Bonds3

About [3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine

[3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine (PubChem CID 65282984) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is [3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine
PubChem CID65282984
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name[3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine
SMILESCC1(C)CCCN(S(=O)(=O)c2cnccc2NN)CC1
InChIInChI=1S/C13H22N4O2S/c1-13(2)5-3-8-17(9-6-13)20(18,19)12-10-15-7-4-11(12)16-14/h4,7,10H,3,5-6,8-9,14H2,1-2H3,(H,15,16)
InChIKeyHCWOXFFHNSJXTR-UHFFFAOYSA-N
XLogP1.57
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.57
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 [3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine?
The IUPAC name of [3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine (CID 65282984) is [3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine.
What is the SMILES notation for [3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine?
The canonical SMILES for [3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine is CC1(C)CCCN(S(=O)(=O)c2cnccc2NN)CC1.
What is the InChIKey of [3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine?
The InChIKey is HCWOXFFHNSJXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-13(2)5-3-8-17(9-6-13)20(18,19)12-10-15-7-4-11(12)16-14/h4,7,10H,3,5-6,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of [3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine?
[3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine has a molecular weight of 298.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-dimethylazepan-1-yl)sulfonyl-4-pyridinyl]hydrazine is sourced from PubChem (CID 65282984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).