2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine

C17H20N2O2S — CID 99937922

IUPAC2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
SMILESCS(=O)(=O)c1ccc(CN2CCC[C@H]2c2ccccn2)cc1
InChIInChI=1S/C17H20N2O2S/c1-22(20,21)15-9-7-14(8-10-15)13-19-12-4-6-17(19)16-5-2-3-11-18-16/h2-3,5,7-11,17H,4,6,12-13H2,1H3/t17-/m0/s1
InChIKeyUTQMMWFZNFATLX-KRWDZBQOSA-N
MW316.43 g/mol
LogP2.82
Rot. Bonds4

About 2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine

2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine (PubChem CID 99937922) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
PubChem CID99937922
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
SMILESCS(=O)(=O)c1ccc(CN2CCC[C@H]2c2ccccn2)cc1
InChIInChI=1S/C17H20N2O2S/c1-22(20,21)15-9-7-14(8-10-15)13-19-12-4-6-17(19)16-5-2-3-11-18-16/h2-3,5,7-11,17H,4,6,12-13H2,1H3/t17-/m0/s1
InChIKeyUTQMMWFZNFATLX-KRWDZBQOSA-N
XLogP2.82
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 95219231
3-[(4-methylsulfonylphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3810429
2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95714571
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094
(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 124999687
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 95200148

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine (CID 99937922) is 2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine is CS(=O)(=O)c1ccc(CN2CCC[C@H]2c2ccccn2)cc1.
What is the InChIKey of 2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is UTQMMWFZNFATLX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-22(20,21)15-9-7-14(8-10-15)13-19-12-4-6-17(19)16-5-2-3-11-18-16/h2-3,5,7-11,17H,4,6,12-13H2,1H3/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine?
2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 316.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 99937922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).