1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide

C13H20N2O3S — CID 62021688

IUPAC1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide
SMILESNc1ccccc1CS(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C13H20N2O3S/c14-13-7-2-1-5-11(13)10-19(16,17)15-9-12-6-3-4-8-18-12/h1-2,5,7,12,15H,3-4,6,8-10,14H2
InChIKeyGVBVPCJYOGFUJT-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.26
Rot. Bonds5

About 1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide

1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide (PubChem CID 62021688) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide
PubChem CID62021688
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide
SMILESNc1ccccc1CS(=O)(=O)NCC1CCCCO1
InChIInChI=1S/C13H20N2O3S/c14-13-7-2-1-5-11(13)10-19(16,17)15-9-12-6-3-4-8-18-12/h1-2,5,7,12,15H,3-4,6,8-10,14H2
InChIKeyGVBVPCJYOGFUJT-UHFFFAOYSA-N
XLogP1.26
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
3-amino-4-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014501
1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27245579
2-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]-2-phenylacetamide
CID 119323946
1-(2-aminophenyl)-N-(thiolan-3-ylmethyl)methanesulfonamide
CID 107294786
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134
1-(4-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27210861
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
CID 30842118
1-(2-aminophenyl)-N-(2-cyclohexyloxyethyl)methanesulfonamide
CID 63824243
2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
3-bromo-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406414

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide (CID 62021688) is 1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide is Nc1ccccc1CS(=O)(=O)NCC1CCCCO1.
What is the InChIKey of 1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide?
The InChIKey is GVBVPCJYOGFUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-13-7-2-1-5-11(13)10-19(16,17)15-9-12-6-3-4-8-18-12/h1-2,5,7,12,15H,3-4,6,8-10,14H2.
What are the key properties of 1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide?
1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(oxan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 62021688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).