4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine

C14H16N2O2S — CID 62112965

IUPAC4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine
SMILESCc1cc(C)cc(CS(=O)(=O)c2ccncc2N)c1
InChIInChI=1S/C14H16N2O2S/c1-10-5-11(2)7-12(6-10)9-19(17,18)14-3-4-16-8-13(14)15/h3-8H,9,15H2,1-2H3
InChIKeyGDDDXMZQUMCAEI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.25
Rot. Bonds3

About 4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine

4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine (PubChem CID 62112965) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine
PubChem CID62112965
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine
SMILESCc1cc(C)cc(CS(=O)(=O)c2ccncc2N)c1
InChIInChI=1S/C14H16N2O2S/c1-10-5-11(2)7-12(6-10)9-19(17,18)14-3-4-16-8-13(14)15/h3-8H,9,15H2,1-2H3
InChIKeyGDDDXMZQUMCAEI-UHFFFAOYSA-N
XLogP2.25
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethylphenyl)methylsulfonyl]-5-methylaniline
CID 81192314
4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine
CID 62111812
5-bromo-2-[(3,5-dimethylphenyl)methylsulfonyl]aniline
CID 81185457
5-[(3-amino-4-pyridinyl)sulfonylmethyl]-2-methoxybenzonitrile
CID 65339217
4-(2-fluoroethylsulfonyl)pyridin-3-amine
CID 80694965
4-nonylsulfonylpyridin-3-amine
CID 55035695
4-[(2-methyl-3-nitrophenyl)methylsulfonyl]pyridin-3-amine
CID 62112298
4-methyl-3-(pyridin-3-ylmethylsulfonyl)aniline
CID 81191026
3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide
CID 62113980
4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine
CID 62112810
4-(1,3-benzothiazol-2-ylmethylsulfonyl)pyridin-3-amine
CID 104631686
5-[(3-amino-4-pyridinyl)sulfonyl]pentanenitrile
CID 62113641

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine?
The IUPAC name of 4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine (CID 62112965) is 4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine is Cc1cc(C)cc(CS(=O)(=O)c2ccncc2N)c1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine?
The InChIKey is GDDDXMZQUMCAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-5-11(2)7-12(6-10)9-19(17,18)14-3-4-16-8-13(14)15/h3-8H,9,15H2,1-2H3.
What are the key properties of 4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine?
4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine has a molecular weight of 276.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine is sourced from PubChem (CID 62112965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).