[2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine

C9H14N2O2S2 — CID 63658863

IUPAC[2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine
SMILESCS(=O)(=O)CCSc1cc(CN)ccn1
InChIInChI=1S/C9H14N2O2S2/c1-15(12,13)5-4-14-9-6-8(7-10)2-3-11-9/h2-3,6H,4-5,7,10H2,1H3
InChIKeyIBPWCYFEUQIJJD-UHFFFAOYSA-N
MW246.36 g/mol
LogP0.68
Rot. Bonds5

About [2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine

[2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine (PubChem CID 63658863) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is [2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine
PubChem CID63658863
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name[2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine
SMILESCS(=O)(=O)CCSc1cc(CN)ccn1
InChIInChI=1S/C9H14N2O2S2/c1-15(12,13)5-4-14-9-6-8(7-10)2-3-11-9/h2-3,6H,4-5,7,10H2,1H3
InChIKeyIBPWCYFEUQIJJD-UHFFFAOYSA-N
XLogP0.68
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine (CID 63658863) is [2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine is CS(=O)(=O)CCSc1cc(CN)ccn1.
What is the InChIKey of [2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine?
The InChIKey is IBPWCYFEUQIJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-15(12,13)5-4-14-9-6-8(7-10)2-3-11-9/h2-3,6H,4-5,7,10H2,1H3.
What are the key properties of [2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine?
[2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine has a molecular weight of 246.36 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfonylethylsulfanyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 63658863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).