5-{2-Hydroxy-4-[2-(1-hydroxycyclohexyl)-ethyl]-phenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one

HCID 57777313
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Basic information

Standard SMILES
O=C1CN(c2ccc(CCC3(O)CCCCC3)cc2O)S(=O)(=O)N1
InChIKey
DPKYSHLRFWFHFY-UHFFFAOYSA-N
Molecular formula
C16H22N2O5S
Average molar mass
354.4 g/mol

Names & identifiers

Preferred name
5-{2-Hydroxy-4-[2-(1-hydroxycyclohexyl)-ethyl]-phenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one
IUPAC
5-[2-hydroxy-4-[2-(1-hydroxycyclohexyl)ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

Names & synonyms

SCHEMBL3915918DPKYSHLRFWFHFY-UHFFFAOYSA-N5-{2-Hydroxy-4-[2-(1-hydroxycyclohexyl)-ethyl]-phenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one

Database identifiers

PubChem CID
57777313

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
115 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
24

Related reactions

1 records
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Linked notes

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