(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol

C12H15NO4S — CID 66291738

IUPAC(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H](O)C1
InChIInChI=1S/C12H15NO4S/c14-10-3-5-13(8-10)18(15,16)11-1-2-12-9(7-11)4-6-17-12/h1-2,7,10,14H,3-6,8H2/t10-/m1/s1
InChIKeyBRTHKLSCUAANML-SNVBAGLBSA-N
MW269.32 g/mol
LogP0.38
Rot. Bonds2

About (3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol

(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol (PubChem CID 66291738) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is (3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
PubChem CID66291738
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H](O)C1
InChIInChI=1S/C12H15NO4S/c14-10-3-5-13(8-10)18(15,16)11-1-2-12-9(7-11)4-6-17-12/h1-2,7,10,14H,3-6,8H2/t10-/m1/s1
InChIKeyBRTHKLSCUAANML-SNVBAGLBSA-N
XLogP0.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3-carbaldehyde
CID 162360978
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
[(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-fluoropiperidin-4-yl]methanol
CID 169128286
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol
CID 43589686
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51294863
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-3-ol
CID 43394271
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-phenylazepane
CID 121146254
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3,5-dimethylpiperazine;hydrochloride
CID 119980558
ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-3-carboxylate
CID 6930883
3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine
CID 163355188

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol (CID 66291738) is (3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol is O=S(=O)(c1ccc2c(c1)CCO2)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol?
The InChIKey is BRTHKLSCUAANML-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-10-3-5-13(8-10)18(15,16)11-1-2-12-9(7-11)4-6-17-12/h1-2,7,10,14H,3-6,8H2/t10-/m1/s1.
What are the key properties of (3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol?
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol has a molecular weight of 269.32 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 66291738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).