6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine

C14H16N2O3S — CID 717481

IUPAC6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine
SMILESCOc1ccc(N)c(CS(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C14H16N2O3S/c1-10-3-5-11(6-4-10)20(17,18)9-13-12(15)7-8-14(16-13)19-2/h3-8H,9,15H2,1-2H3
InChIKeyRQIXRUOGTJDNQW-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.95
Rot. Bonds4

About 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine

6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine (PubChem CID 717481) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine
PubChem CID717481
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine
SMILESCOc1ccc(N)c(CS(=O)(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C14H16N2O3S/c1-10-3-5-11(6-4-10)20(17,18)9-13-12(15)7-8-14(16-13)19-2/h3-8H,9,15H2,1-2H3
InChIKeyRQIXRUOGTJDNQW-UHFFFAOYSA-N
XLogP1.95
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-propylsulfonylpyridin-3-amine
CID 115321328
1-amino-4-[(4-methylphenyl)sulfonylmethyl]anthracene-9,10-dione
CID 15369749
(6-methoxypyridazin-3-yl) 4-methylbenzenesulfonate
CID 121013633
2-methyl-4-[(4-methylphenyl)sulfonylmethyl]-5-nitro-1,3-thiazole
CID 102137915
[2-methoxy-5-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 65343771
2-bromo-5-[(4-methylphenyl)sulfonylmethyl]aniline
CID 115558413
3-[(4-methylphenyl)sulfonylmethyl]aniline
CID 43382291
1-methoxy-4-[[4-[4-[4-[(4-methoxyphenyl)methylsulfonyl]phenyl]phenyl]phenyl]sulfonylmethyl]benzene
CID 160857986
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
[4-ethyl-2-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-5-yl]methanamine
CID 82429194
2-[(6-methoxy-2-pyridinyl)methylsulfonyl]-6-methylaniline
CID 81188835
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine?
The IUPAC name of 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine (CID 717481) is 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine is COc1ccc(N)c(CS(=O)(=O)c2ccc(C)cc2)n1.
What is the InChIKey of 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine?
The InChIKey is RQIXRUOGTJDNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-3-5-11(6-4-10)20(17,18)9-13-12(15)7-8-14(16-13)19-2/h3-8H,9,15H2,1-2H3.
What are the key properties of 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine?
6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine has a molecular weight of 292.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(4-methylphenyl)sulfonylmethyl]pyridin-3-amine is sourced from PubChem (CID 717481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).