2-amino-4-(oxazinan-2-yl)benzenesulfonamide

C10H15N3O3S — CID 113375381

IUPAC2-amino-4-(oxazinan-2-yl)benzenesulfonamide
SMILESNc1cc(N2CCCCO2)ccc1S(N)(=O)=O
InChIInChI=1S/C10H15N3O3S/c11-9-7-8(13-5-1-2-6-16-13)3-4-10(9)17(12,14)15/h3-4,7H,1-2,5-6,11H2,(H2,12,14,15)
InChIKeyYHHLSAGYAJRITG-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.45
Rot. Bonds2

About 2-amino-4-(oxazinan-2-yl)benzenesulfonamide

2-amino-4-(oxazinan-2-yl)benzenesulfonamide (PubChem CID 113375381) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-amino-4-(oxazinan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(oxazinan-2-yl)benzenesulfonamide
PubChem CID113375381
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-amino-4-(oxazinan-2-yl)benzenesulfonamide
SMILESNc1cc(N2CCCCO2)ccc1S(N)(=O)=O
InChIInChI=1S/C10H15N3O3S/c11-9-7-8(13-5-1-2-6-16-13)3-4-10(9)17(12,14)15/h3-4,7H,1-2,5-6,11H2,(H2,12,14,15)
InChIKeyYHHLSAGYAJRITG-UHFFFAOYSA-N
XLogP0.45
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-piperazin-1-ylbenzenesulfonamide
CID 79466445
1-(3-amino-4-sulfamoylphenyl)piperidine-4-carboxamide
CID 79466325
1-[2-amino-5-(1,2-oxazolidin-2-yl)phenyl]ethanone
CID 104613094
2-amino-4-(4-methyl-3-oxopiperazin-1-yl)benzenesulfonamide
CID 79466909
2-amino-4-(4-methoxypiperidin-1-yl)benzenesulfonamide
CID 79466596
2-amino-4-[4-(trifluoromethyl)piperidin-1-yl]benzenesulfonamide
CID 79466266
2-amino-4-(4-ethylazepan-1-yl)benzenesulfonamide
CID 79466454
2-amino-4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenesulfonamide
CID 107213964
2-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 79467514
2-amino-4-(2,3,5-trimethylpiperidin-1-yl)benzenesulfonamide
CID 114592056
2-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 80646144
4-bromo-5-fluoro-2-(oxazinan-2-ylsulfonyl)aniline
CID 106492016

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(oxazinan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-(oxazinan-2-yl)benzenesulfonamide (CID 113375381) is 2-amino-4-(oxazinan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(oxazinan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(oxazinan-2-yl)benzenesulfonamide is Nc1cc(N2CCCCO2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-(oxazinan-2-yl)benzenesulfonamide?
The InChIKey is YHHLSAGYAJRITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c11-9-7-8(13-5-1-2-6-16-13)3-4-10(9)17(12,14)15/h3-4,7H,1-2,5-6,11H2,(H2,12,14,15).
What are the key properties of 2-amino-4-(oxazinan-2-yl)benzenesulfonamide?
2-amino-4-(oxazinan-2-yl)benzenesulfonamide has a molecular weight of 257.31 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(oxazinan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113375381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).