6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide

C13H18N2O3S — CID 104544340

IUPAC6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCC(c2ccc3c(c2)CCO3)NC1
InChIInChI=1S/C13H18N2O3S/c14-19(16,17)11-2-3-12(15-8-11)9-1-4-13-10(7-9)5-6-18-13/h1,4,7,11-12,15H,2-3,5-6,8H2,(H2,14,16,17)
InChIKeyREKAALKMPQBBPP-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.70
Rot. Bonds2

About 6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide

6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide (PubChem CID 104544340) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide
PubChem CID104544340
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCC(c2ccc3c(c2)CCO3)NC1
InChIInChI=1S/C13H18N2O3S/c14-19(16,17)11-2-3-12(15-8-11)9-1-4-13-10(7-9)5-6-18-13/h1,4,7,11-12,15H,2-3,5-6,8H2,(H2,14,16,17)
InChIKeyREKAALKMPQBBPP-UHFFFAOYSA-N
XLogP0.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 96765724
5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
CID 76936947
(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine
CID 129493232
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride
CID 171193100
1-(2-aminopropyl)-4-(2,3-dihydro-1-benzofuran-5-yl)imidazolidin-2-one
CID 116978412
4-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-1,5-dihydroimidazol-2-one
CID 79960453
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylimidazolidin-2-one
CID 116981042
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazolidine
CID 66244533

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide (CID 104544340) is 6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide is NS(=O)(=O)C1CCC(c2ccc3c(c2)CCO3)NC1.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide?
The InChIKey is REKAALKMPQBBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c14-19(16,17)11-2-3-12(15-8-11)9-1-4-13-10(7-9)5-6-18-13/h1,4,7,11-12,15H,2-3,5-6,8H2,(H2,14,16,17).
What are the key properties of 6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide?
6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide is sourced from PubChem (CID 104544340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).