2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine

C18H20N2O5S — CID 97018217

IUPAC2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](OCc2ccccn2)C1
InChIInChI=1S/C18H20N2O5S/c21-26(22,16-4-5-17-18(11-16)24-10-9-23-17)20-8-6-15(12-20)25-13-14-3-1-2-7-19-14/h1-5,7,11,15H,6,8-10,12-13H2/t15-/m0/s1
InChIKeyRVDNSOMDEVTMFK-HNNXBMFYSA-N
MW376.43 g/mol
LogP1.83
Rot. Bonds5

About 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine

2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine (PubChem CID 97018217) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine
PubChem CID97018217
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine
SMILESO=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](OCc2ccccn2)C1
InChIInChI=1S/C18H20N2O5S/c21-26(22,16-4-5-17-18(11-16)24-10-9-23-17)20-8-6-15(12-20)25-13-14-3-1-2-7-19-14/h1-5,7,11,15H,6,8-10,12-13H2/t15-/m0/s1
InChIKeyRVDNSOMDEVTMFK-HNNXBMFYSA-N
XLogP1.83
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]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

2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-3-yl]oxymethyl]pyridine
CID 131939168
2-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxymethyl]pyridine
CID 71846469
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenoxypiperidine
CID 110396758
3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine
CID 122248138
3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 100633882
2-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxy-4-(trifluoromethyl)pyridine
CID 100739062
4-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxy-6-ethyl-5-fluoropyrimidine
CID 124891195
5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 131912188
(4aS,8aS)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926564
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115744951
4-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine
CID 1129609
3-(2-bromoethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine
CID 114801835

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine (CID 97018217) is 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine is O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[C@H](OCc2ccccn2)C1.
What is the InChIKey of 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine?
The InChIKey is RVDNSOMDEVTMFK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c21-26(22,16-4-5-17-18(11-16)24-10-9-23-17)20-8-6-15(12-20)25-13-14-3-1-2-7-19-14/h1-5,7,11,15H,6,8-10,12-13H2/t15-/m0/s1.
What are the key properties of 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine?
2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine has a molecular weight of 376.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 97018217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).