[2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine

C14H23N3O2S — CID 65282986

IUPAC[2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine
SMILESCC1(C)CCCN(S(=O)(=O)c2ccccc2NN)CC1
InChIInChI=1S/C14H23N3O2S/c1-14(2)8-5-10-17(11-9-14)20(18,19)13-7-4-3-6-12(13)16-15/h3-4,6-7,16H,5,8-11,15H2,1-2H3
InChIKeyNSSFTBJBDBNDJJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.17
Rot. Bonds3

About [2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine

[2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine (PubChem CID 65282986) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is [2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine.

Molecular Properties

Compound Name[2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine
PubChem CID65282986
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name[2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine
SMILESCC1(C)CCCN(S(=O)(=O)c2ccccc2NN)CC1
InChIInChI=1S/C14H23N3O2S/c1-14(2)8-5-10-17(11-9-14)20(18,19)13-7-4-3-6-12(13)16-15/h3-4,6-7,16H,5,8-11,15H2,1-2H3
InChIKeyNSSFTBJBDBNDJJ-UHFFFAOYSA-N
XLogP2.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine?
The IUPAC name of [2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine (CID 65282986) is [2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine.
What is the SMILES notation for [2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine?
The canonical SMILES for [2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine is CC1(C)CCCN(S(=O)(=O)c2ccccc2NN)CC1.
What is the InChIKey of [2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine?
The InChIKey is NSSFTBJBDBNDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(2)8-5-10-17(11-9-14)20(18,19)13-7-4-3-6-12(13)16-15/h3-4,6-7,16H,5,8-11,15H2,1-2H3.
What are the key properties of [2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine?
[2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine has a molecular weight of 297.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-dimethylazepan-1-yl)sulfonylphenyl]hydrazine is sourced from PubChem (CID 65282986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).