N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine

C11H18N2O2S2 — CID 83124400

IUPACN-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(SCCS(C)(=O)=O)cn1
InChIInChI=1S/C11H18N2O2S2/c1-9(12-2)11-5-4-10(8-13-11)16-6-7-17(3,14)15/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyLZNSZPNFWZGFQQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.50
Rot. Bonds6

About N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine

N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine (PubChem CID 83124400) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine
PubChem CID83124400
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(SCCS(C)(=O)=O)cn1
InChIInChI=1S/C11H18N2O2S2/c1-9(12-2)11-5-4-10(8-13-11)16-6-7-17(3,14)15/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyLZNSZPNFWZGFQQ-UHFFFAOYSA-N
XLogP1.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine (CID 83124400) is N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine is CNC(C)c1ccc(SCCS(C)(=O)=O)cn1.
What is the InChIKey of N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine?
The InChIKey is LZNSZPNFWZGFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-9(12-2)11-5-4-10(8-13-11)16-6-7-17(3,14)15/h4-5,8-9,12H,6-7H2,1-3H3.
What are the key properties of N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine?
N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83124400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).