6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine

C17H21N3O2S — CID 102542824

IUPAC6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2ccc(N)nc2C)cc1
InChIInChI=1S/C17H21N3O2S/c1-12-5-7-14(8-6-12)23(21,22)20-11-3-4-16(20)15-9-10-17(18)19-13(15)2/h5-10,16H,3-4,11H2,1-2H3,(H2,18,19)
InChIKeyLJXDWHGNQNYVGX-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.81
Rot. Bonds3

About 6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine

6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine (PubChem CID 102542824) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine
PubChem CID102542824
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCCC2c2ccc(N)nc2C)cc1
InChIInChI=1S/C17H21N3O2S/c1-12-5-7-14(8-6-12)23(21,22)20-11-3-4-16(20)15-9-10-17(18)19-13(15)2/h5-10,16H,3-4,11H2,1-2H3,(H2,18,19)
InChIKeyLJXDWHGNQNYVGX-UHFFFAOYSA-N
XLogP2.81
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-6-pyrrolidin-1-ylpyridine
CID 102543030
4-[6-methyl-5-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]morpholine
CID 124500244
(2R)-2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856371
(2R)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51856499
(2R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 124500770
6-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1H-pyridin-2-one
CID 102542654
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
2-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 102539084
2-(2-chlorophenyl)-1-(4-methylphenyl)sulfonylazepane
CID 53096111
6-methyl-5-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-1H-pyridine-2-thione
CID 102542750
4-amino-1-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]pyrimidin-2-one
CID 139749526
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine?
The IUPAC name of 6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine (CID 102542824) is 6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine?
The canonical SMILES for 6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine is Cc1ccc(S(=O)(=O)N2CCCC2c2ccc(N)nc2C)cc1.
What is the InChIKey of 6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine?
The InChIKey is LJXDWHGNQNYVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-5-7-14(8-6-12)23(21,22)20-11-3-4-16(20)15-9-10-17(18)19-13(15)2/h5-10,16H,3-4,11H2,1-2H3,(H2,18,19).
What are the key properties of 6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine?
6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine has a molecular weight of 331.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 102542824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).