Tert-butyl 2-(2,2-dimethylchroman-6-sulfonamido)acetate

HCID 58409094
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Basic information

Standard SMILES
CC(C)(C)OC(=O)CNS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2
InChIKey
HBPSBFPPQUFKBJ-UHFFFAOYSA-N
Molecular formula
C17H25NO5S
Average molar mass
355.5 g/mol
Monoisotopic mass
355.14534407

Names & identifiers

Preferred name
Tert-butyl 2-(2,2-dimethylchroman-6-sulfonamido)acetate
IUPAC
tert-butyl 2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]acetate

Names & synonyms

SCHEMBL2243703HBPSBFPPQUFKBJ-UHFFFAOYSA-NTert-butyl 2-(2,2-dimethylchroman-6-sulfonamido)acetate

Database identifiers

PubChem CID
58409094

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
90.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
24

Related reactions

18 records
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Compound notes

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