3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine

C16H18N2O2S — CID 6925728

IUPAC3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-13-6-8-15(9-7-13)21(19,20)18-11-3-5-16(18)14-4-2-10-17-12-14/h2,4,6-10,12,16H,3,5,11H2,1H3/t16-/m0/s1
InChIKeyJZWZRZYTVFZHIA-INIZCTEOSA-N
MW302.40 g/mol
LogP2.92
Rot. Bonds3

About 3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine

3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 6925728) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID6925728
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2)cc1
InChIInChI=1S/C16H18N2O2S/c1-13-6-8-15(9-7-13)21(19,20)18-11-3-5-16(18)14-4-2-10-17-12-14/h2,4,6-10,12,16H,3,5,11H2,1H3/t16-/m0/s1
InChIKeyJZWZRZYTVFZHIA-INIZCTEOSA-N
XLogP2.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525751
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102539084
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
3-[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525744
3,5-dimethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,2-oxazole
CID 24525746
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 175864648
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine
CID 6927843
5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110871612
3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525742
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 6925728) is 3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine is Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2)cc1.
What is the InChIKey of 3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is JZWZRZYTVFZHIA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-13-6-8-15(9-7-13)21(19,20)18-11-3-5-16(18)14-4-2-10-17-12-14/h2,4,6-10,12,16H,3,5,11H2,1H3/t16-/m0/s1.
What are the key properties of 3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine?
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 302.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 6925728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).