1-(2-aminophenyl)sulfonylazepan-4-amine

C12H19N3O2S — CID 89315995

IUPAC1-(2-aminophenyl)sulfonylazepan-4-amine
SMILESNc1ccccc1S(=O)(=O)N1CCCC(N)CC1
InChIInChI=1S/C12H19N3O2S/c13-10-4-3-8-15(9-7-10)18(16,17)12-6-2-1-5-11(12)14/h1-2,5-6,10H,3-4,7-9,13-14H2
InChIKeyAQSKAOOVESPHGH-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.77
Rot. Bonds2

About 1-(2-aminophenyl)sulfonylazepan-4-amine

1-(2-aminophenyl)sulfonylazepan-4-amine (PubChem CID 89315995) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(2-aminophenyl)sulfonylazepan-4-amine.

Molecular Properties

Compound Name1-(2-aminophenyl)sulfonylazepan-4-amine
PubChem CID89315995
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(2-aminophenyl)sulfonylazepan-4-amine
SMILESNc1ccccc1S(=O)(=O)N1CCCC(N)CC1
InChIInChI=1S/C12H19N3O2S/c13-10-4-3-8-15(9-7-10)18(16,17)12-6-2-1-5-11(12)14/h1-2,5-6,10H,3-4,7-9,13-14H2
InChIKeyAQSKAOOVESPHGH-UHFFFAOYSA-N
XLogP0.77
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclobutyloxypiperidin-1-yl)sulfonylaniline
CID 146133864
2-[(3R)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132831
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830
1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one
CID 146092548
2-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]acetamide
CID 61139917
2-[1-(2-aminophenyl)sulfonylpiperidin-3-yl]ethanol
CID 104859249
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
2-thiomorpholin-4-ylsulfonylaniline
CID 28786580
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
2-(3-aminopiperidin-1-yl)sulfonylbenzonitrile
CID 43096470
N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide
CID 61109197

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)sulfonylazepan-4-amine?
The IUPAC name of 1-(2-aminophenyl)sulfonylazepan-4-amine (CID 89315995) is 1-(2-aminophenyl)sulfonylazepan-4-amine.
What is the SMILES notation for 1-(2-aminophenyl)sulfonylazepan-4-amine?
The canonical SMILES for 1-(2-aminophenyl)sulfonylazepan-4-amine is Nc1ccccc1S(=O)(=O)N1CCCC(N)CC1.
What is the InChIKey of 1-(2-aminophenyl)sulfonylazepan-4-amine?
The InChIKey is AQSKAOOVESPHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-10-4-3-8-15(9-7-10)18(16,17)12-6-2-1-5-11(12)14/h1-2,5-6,10H,3-4,7-9,13-14H2.
What are the key properties of 1-(2-aminophenyl)sulfonylazepan-4-amine?
1-(2-aminophenyl)sulfonylazepan-4-amine has a molecular weight of 269.37 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)sulfonylazepan-4-amine is sourced from PubChem (CID 89315995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).