4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine

C15H22N2O3S — CID 71918697

IUPAC4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine
SMILESO=S(=O)(CCC1CCCO1)N1CCCC1c1ccncc1
InChIInChI=1S/C15H22N2O3S/c18-21(19,12-7-14-3-2-11-20-14)17-10-1-4-15(17)13-5-8-16-9-6-13/h5-6,8-9,14-15H,1-4,7,10-12H2
InChIKeyLKWKLVNXNGZABH-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.12
Rot. Bonds5

About 4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine

4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine (PubChem CID 71918697) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine
PubChem CID71918697
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine
SMILESO=S(=O)(CCC1CCCO1)N1CCCC1c1ccncc1
InChIInChI=1S/C15H22N2O3S/c18-21(19,12-7-14-3-2-11-20-14)17-10-1-4-15(17)13-5-8-16-9-6-13/h5-6,8-9,14-15H,1-4,7,10-12H2
InChIKeyLKWKLVNXNGZABH-UHFFFAOYSA-N
XLogP2.12
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]pyrrolidin-2-yl]-1H-pyrrole
CID 100865829
4-(1-propan-2-ylsulfonylpyrrolidin-2-yl)pyridine
CID 61356341
4-[1-[(4-nitrophenyl)methylsulfonyl]pyrrolidin-2-yl]pyridine
CID 51077680
(3S)-3-(4-fluorophenyl)-1-[2-[(2S)-oxolan-2-yl]ethylsulfonyl]pyrrolidine
CID 97226472
4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylaniline
CID 43577800
4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 94162249
4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
CID 60910841
N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 96539853
methyl 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate
CID 42943935
4-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]pyridine
CID 25361203
4-[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 60727492
(3S)-1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]-3-piperidin-1-ylpiperidine
CID 100897842

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine (CID 71918697) is 4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine is O=S(=O)(CCC1CCCO1)N1CCCC1c1ccncc1.
What is the InChIKey of 4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine?
The InChIKey is LKWKLVNXNGZABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-21(19,12-7-14-3-2-11-20-14)17-10-1-4-15(17)13-5-8-16-9-6-13/h5-6,8-9,14-15H,1-4,7,10-12H2.
What are the key properties of 4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine?
4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine has a molecular weight of 310.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(oxolan-2-yl)ethylsulfonyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 71918697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).