2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine

C16H16N2O4S — CID 110871717

IUPAC2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc2c(c1)OCO2)N1CCCC1c1ccccn1
InChIInChI=1S/C16H16N2O4S/c19-23(20,12-6-7-15-16(10-12)22-11-21-15)18-9-3-5-14(18)13-4-1-2-8-17-13/h1-2,4,6-8,10,14H,3,5,9,11H2
InChIKeyFKMUOOGCFVBGIN-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.34
Rot. Bonds3

About 2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine

2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine (PubChem CID 110871717) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine
PubChem CID110871717
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc2c(c1)OCO2)N1CCCC1c1ccccn1
InChIInChI=1S/C16H16N2O4S/c19-23(20,12-6-7-15-16(10-12)22-11-21-15)18-9-3-5-14(18)13-4-1-2-8-17-13/h1-2,4,6-8,10,14H,3,5,9,11H2
InChIKeyFKMUOOGCFVBGIN-UHFFFAOYSA-N
XLogP2.34
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-ylsulfonyl)-2-cyclopentylpyrrolidine
CID 110871991
2-(1,3-benzodioxol-5-yl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 126778989
(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 99324019
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 126772153
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 30261453
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenyl-1,5-diazecan-2-one
CID 110200183
2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 40920952
(2R)-2-(4-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine
CID 35391559
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 30260757
(2R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-thiophen-2-ylpyrrolidine
CID 51883239
1,3-benzodioxol-5-yl-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70759267
5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809125

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine (CID 110871717) is 2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine is O=S(=O)(c1ccc2c(c1)OCO2)N1CCCC1c1ccccn1.
What is the InChIKey of 2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine?
The InChIKey is FKMUOOGCFVBGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c19-23(20,12-6-7-15-16(10-12)22-11-21-15)18-9-3-5-14(18)13-4-1-2-8-17-13/h1-2,4,6-8,10,14H,3,5,9,11H2.
What are the key properties of 2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine?
2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine has a molecular weight of 332.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzodioxol-5-ylsulfonyl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 110871717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).