2-Methyl-N-{[(2S)-7-(methylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-YL]methyl}propan-1-amine

HCID 44469596
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Basic information

Standard SMILES
CC(C)CNC[C@H]1COc2ccc(S(C)(=O)=O)cc2O1
InChIKey
XZLUXENLKSWQTA-NSHDSACASA-N
Molecular formula
C14H21NO4S
Average molar mass
299.39 g/mol
Monoisotopic mass
299.11912932

Names & identifiers

Preferred name
2-Methyl-N-{[(2S)-7-(methylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-YL]methyl}propan-1-amine
IUPAC
2-methyl-N-[[(3S)-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propan-1-amine

Names & synonyms

SCHEMBL1883562XZLUXENLKSWQTA-NSHDSACASA-N2-METHYL-N-{[(2S)-7-(METHYLSULFONYL)-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL]METHYL}PROPAN-1-AMINE

Database identifiers

PubChem CID
44469596

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
73 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
20

Related reactions

1 records
New reaction record

Compound notes

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2-Methyl-N-{[(2S)-7-(methylsulfonyl)-2,3-dihydro-1,4-benzodioxin-2-YL]methyl}propan-1-amine (HCID 44469596)｜Huagongshe