1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine

C16H20N2O2S — CID 170889290

IUPAC1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C16H20N2O2S/c1-3-13(17)11-14-5-4-6-16(18-14)12-7-9-15(10-8-12)21(2,19)20/h4-10,13H,3,11,17H2,1-2H3
InChIKeyNYGDBFTVKMQTIH-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.43
Rot. Bonds5

About 1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine

1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine (PubChem CID 170889290) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine
PubChem CID170889290
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C16H20N2O2S/c1-3-13(17)11-14-5-4-6-16(18-14)12-7-9-15(10-8-12)21(2,19)20/h4-10,13H,3,11,17H2,1-2H3
InChIKeyNYGDBFTVKMQTIH-UHFFFAOYSA-N
XLogP2.43
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-chlorophenyl)-2-pyridinyl]butan-2-amine
CID 170889254
2-amino-3-[6-(4-chlorophenyl)-2-pyridinyl]propan-1-ol
CID 170893413
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652676
2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine
CID 167617030
(2R)-1-(4-methylsulfonylphenyl)propan-2-amine
CID 12006738
2-(4-methylsulfonylphenyl)sulfonylpentan-3-amine
CID 64675689
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3686493
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090
[1-ethyl-3-(4-methylsulfonylphenyl)pyrazol-5-yl]methanamine
CID 84761660
2-ethyl-2-methyl-4-(6-methyl-2-pyridinyl)-5-(4-methylsulfonylphenyl)furan-3-one
CID 18385609
6-(4-methylsulfonylphenyl)pyridine-3-carbaldehyde
CID 57353945
(1S)-2-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 171217927

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine (CID 170889290) is 1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine is CCC(N)Cc1cccc(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine?
The InChIKey is NYGDBFTVKMQTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-13(17)11-14-5-4-6-16(18-14)12-7-9-15(10-8-12)21(2,19)20/h4-10,13H,3,11,17H2,1-2H3.
What are the key properties of 1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine?
1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylsulfonylphenyl)-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 170889290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).