5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine

C19H22N2O3S — CID 67973749

IUPAC5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](C2CCNCC2)O3)nc1
InChIInChI=1S/C19H22N2O3S/c1-25(22,23)16-3-4-17(21-12-16)14-2-5-18-15(10-14)11-19(24-18)13-6-8-20-9-7-13/h2-5,10,12-13,19-20H,6-9,11H2,1H3/t19-/m1/s1
InChIKeyJOZRVCRGXVXGGF-LJQANCHMSA-N
MW358.46 g/mol
LogP2.46
Rot. Bonds3

About 5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine

5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine (PubChem CID 67973749) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine.

Molecular Properties

Compound Name5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine
PubChem CID67973749
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](C2CCNCC2)O3)nc1
InChIInChI=1S/C19H22N2O3S/c1-25(22,23)16-3-4-17(21-12-16)14-2-5-18-15(10-14)11-19(24-18)13-6-8-20-9-7-13/h2-5,10,12-13,19-20H,6-9,11H2,1H3/t19-/m1/s1
InChIKeyJOZRVCRGXVXGGF-LJQANCHMSA-N
XLogP2.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Rac-3-((4-(methylthio)phenoxy)(piperidin-4-yl)methyl)pyridine
CID 44188275
US10155760, Example 114
CID 118419870
N-[1-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperidin-4-yl]methanesulfonamide
CID 56658649
1-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)-pyridin-3-ylmethyl]piperidin-4-amine
CID 56662296
US11213525, Example 30
CID 137534339
N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide
CID 71860570
[2-(3-Aminopropoxy)-5-pyridin-2-ylbenzyl](piperidin-4-ylmethyl)amine
CID 516520
(2E)-N-({5-[4-(methylsulfonyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl}methyl)-3-(3-pyridinyl)acrylamide
CID 45191408
[(2R)-5-methyl-7-[5-(piperidin-1-ylmethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95201376
1-Methylethyl 4-[({2-fluoro-4-[5-(methylsulfonyl)-2-pyridinyl]phenyl}oxy)methyl]-1-piperidinecarboxylate
CID 59177768
2-{3-Fluoro-4-[(phenylmethyl)oxy]phenyl}-5-(methylsulfonyl)pyridine
CID 66673119
tert-butyl (5S)-6-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 66837456

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine?
The IUPAC name of 5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine (CID 67973749) is 5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine.
What is the SMILES notation for 5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine?
The canonical SMILES for 5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine is CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](C2CCNCC2)O3)nc1.
What is the InChIKey of 5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine?
The InChIKey is JOZRVCRGXVXGGF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-25(22,23)16-3-4-17(21-12-16)14-2-5-18-15(10-14)11-19(24-18)13-6-8-20-9-7-13/h2-5,10,12-13,19-20H,6-9,11H2,1H3/t19-/m1/s1.
What are the key properties of 5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine?
5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine has a molecular weight of 358.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-[(2R)-2-piperidin-4-yl-2,3-dihydro-1-benzofuran-5-yl]pyridine is sourced from PubChem (CID 67973749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).