[6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine

C14H16N2O2S2 — CID 63238136

IUPAC[6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine
SMILESCc1ccc(CN)c(Sc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H16N2O2S2/c1-10-3-4-11(9-15)14(16-10)19-12-5-7-13(8-6-12)20(2,17)18/h3-8H,9,15H2,1-2H3
InChIKeyIUNJERAQRVUHGM-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.40
Rot. Bonds4

About [6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine

[6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine (PubChem CID 63238136) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is [6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine
PubChem CID63238136
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name[6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine
SMILESCc1ccc(CN)c(Sc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C14H16N2O2S2/c1-10-3-4-11(9-15)14(16-10)19-12-5-7-13(8-6-12)20(2,17)18/h3-8H,9,15H2,1-2H3
InChIKeyIUNJERAQRVUHGM-UHFFFAOYSA-N
XLogP2.40
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine?
The IUPAC name of [6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine (CID 63238136) is [6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine is Cc1ccc(CN)c(Sc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of [6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine?
The InChIKey is IUNJERAQRVUHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-3-4-11(9-15)14(16-10)19-12-5-7-13(8-6-12)20(2,17)18/h3-8H,9,15H2,1-2H3.
What are the key properties of [6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine?
[6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine has a molecular weight of 308.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(4-methylsulfonylphenyl)sulfanyl-3-pyridinyl]methanamine is sourced from PubChem (CID 63238136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).