1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol

C12H15NO5S — CID 106672599

IUPAC1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CC(O)C(O)C1
InChIInChI=1S/C12H15NO5S/c14-10-6-13(7-11(10)15)19(16,17)9-1-2-12-8(5-9)3-4-18-12/h1-2,5,10-11,14-15H,3-4,6-7H2
InChIKeyYUSZZWLKGVJAII-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.65
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol

1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol (PubChem CID 106672599) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
PubChem CID106672599
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CC(O)C(O)C1
InChIInChI=1S/C12H15NO5S/c14-10-6-13(7-11(10)15)19(16,17)9-1-2-12-8(5-9)3-4-18-12/h1-2,5,10-11,14-15H,3-4,6-7H2
InChIKeyYUSZZWLKGVJAII-UHFFFAOYSA-N
XLogP-0.65
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
CID 66291738
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3,5-dimethylpiperazine;hydrochloride
CID 119980558
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-(2,2,2-trifluoroethoxy)azetidine
CID 121175640
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3-carbaldehyde
CID 162360978
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol
CID 43589686
[(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-fluoropiperidin-4-yl]methanol
CID 169128286
(3S,4S)-1-(3,4-dihydro-2H-chromen-6-ylsulfonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122103880
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51294863
6-tert-butyl-2-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927712
N-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)azetidin-3-yl]pyrimidin-4-amine
CID 126855226

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol (CID 106672599) is 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol is O=S(=O)(c1ccc2c(c1)CCO2)N1CC(O)C(O)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol?
The InChIKey is YUSZZWLKGVJAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c14-10-6-13(7-11(10)15)19(16,17)9-1-2-12-8(5-9)3-4-18-12/h1-2,5,10-11,14-15H,3-4,6-7H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol?
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol has a molecular weight of 285.32 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106672599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).