[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol

C14H19NO4S — CID 43589686

IUPAC[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCCC(CO)C1
InChIInChI=1S/C14H19NO4S/c16-10-11-2-1-6-15(9-11)20(17,18)13-3-4-14-12(8-13)5-7-19-14/h3-4,8,11,16H,1-2,5-7,9-10H2
InChIKeyXZGGYSNSVHIGMQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.01
Rot. Bonds3

About [1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol

[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol (PubChem CID 43589686) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol
PubChem CID43589686
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol
SMILESO=S(=O)(c1ccc2c(c1)CCO2)N1CCCC(CO)C1
InChIInChI=1S/C14H19NO4S/c16-10-11-2-1-6-15(9-11)20(17,18)13-3-4-14-12(8-13)5-7-19-14/h3-4,8,11,16H,1-2,5-7,9-10H2
InChIKeyXZGGYSNSVHIGMQ-UHFFFAOYSA-N
XLogP1.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-fluoropiperidin-4-yl]methanol
CID 169128286
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
CID 66291738
1,4-bis(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-1,4-diazepane
CID 55511916
ethyl (3S)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-3-carboxylate
CID 6930883
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-phenylazepane
CID 121146254
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3-carbaldehyde
CID 162360978
3-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-yl]methoxy]-6-methylpyridazine
CID 163355188
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol (CID 43589686) is [1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol is O=S(=O)(c1ccc2c(c1)CCO2)N1CCCC(CO)C1.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol?
The InChIKey is XZGGYSNSVHIGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-10-11-2-1-6-15(9-11)20(17,18)13-3-4-14-12(8-13)5-7-19-14/h3-4,8,11,16H,1-2,5-7,9-10H2.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol?
[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol has a molecular weight of 297.38 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-3-yl]methanol is sourced from PubChem (CID 43589686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).