3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine

C12H18N2O5S2 — CID 129325414

IUPAC3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
SMILESCS(=O)(=O)CCS(=O)(=O)N1CC[C@H](Oc2cccnc2)C1
InChIInChI=1S/C12H18N2O5S2/c1-20(15,16)7-8-21(17,18)14-6-4-12(10-14)19-11-3-2-5-13-9-11/h2-3,5,9,12H,4,6-8,10H2,1H3/t12-/m0/s1
InChIKeyADMYBOSPTWKXBJ-LBPRGKRZSA-N
MW334.42 g/mol
LogP-0.09
Rot. Bonds6

About 3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine

3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine (PubChem CID 129325414) has the molecular formula C12H18N2O5S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
PubChem CID129325414
Molecular FormulaC12H18N2O5S2
Molecular Weight334.42 g/mol
Exact Mass334.07
IUPAC Name3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
SMILESCS(=O)(=O)CCS(=O)(=O)N1CC[C@H](Oc2cccnc2)C1
InChIInChI=1S/C12H18N2O5S2/c1-20(15,16)7-8-21(17,18)14-6-4-12(10-14)19-11-3-2-5-13-9-11/h2-3,5,9,12H,4,6-8,10H2,1H3/t12-/m0/s1
InChIKeyADMYBOSPTWKXBJ-LBPRGKRZSA-N
XLogP-0.09
TPSA93.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylmorpholine
CID 75495327
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
(3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide
CID 129425283
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495330
3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128970089
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine
CID 90566210
1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 75495313
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine (CID 129325414) is 3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine is CS(=O)(=O)CCS(=O)(=O)N1CC[C@H](Oc2cccnc2)C1.
What is the InChIKey of 3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine?
The InChIKey is ADMYBOSPTWKXBJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2O5S2/c1-20(15,16)7-8-21(17,18)14-6-4-12(10-14)19-11-3-2-5-13-9-11/h2-3,5,9,12H,4,6-8,10H2,1H3/t12-/m0/s1.
What are the key properties of 3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine?
3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine has a molecular weight of 334.42 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 129325414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).