3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine

C16H18N2O5S2 — CID 75495315

IUPAC3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(Oc3cccnc3)C2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-24(19,20)15-4-6-16(7-5-15)25(21,22)18-10-8-14(12-18)23-13-3-2-9-17-11-13/h2-7,9,11,14H,8,10,12H2,1H3
InChIKeyNTNBWQHNPGCMST-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.33
Rot. Bonds5

About 3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine

3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine (PubChem CID 75495315) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
PubChem CID75495315
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC Name3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(Oc3cccnc3)C2)cc1
InChIInChI=1S/C16H18N2O5S2/c1-24(19,20)15-4-6-16(7-5-15)25(21,22)18-10-8-14(12-18)23-13-3-2-9-17-11-13/h2-7,9,11,14H,8,10,12H2,1H3
InChIKeyNTNBWQHNPGCMST-UHFFFAOYSA-N
XLogP1.33
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 75495313
3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
CID 129325414
6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 129325738
7-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 128998759
3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 75507090
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495330
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylmorpholine
CID 75495327
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636426

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine?
The IUPAC name of 3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine (CID 75495315) is 3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine is CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(Oc3cccnc3)C2)cc1.
What is the InChIKey of 3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine?
The InChIKey is NTNBWQHNPGCMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-24(19,20)15-4-6-16(7-5-15)25(21,22)18-10-8-14(12-18)23-13-3-2-9-17-11-13/h2-7,9,11,14H,8,10,12H2,1H3.
What are the key properties of 3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine?
3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine has a molecular weight of 382.46 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 75495315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).