N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine

C13H14N2S — CID 79016211

IUPACN-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
SMILESCNCc1ccc(Sc2ccccc2)nc1
InChIInChI=1S/C13H14N2S/c1-14-9-11-7-8-13(15-10-11)16-12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3
InChIKeyMZAGSLFZPLIHSR-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.95
Rot. Bonds4

About N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine

N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine (PubChem CID 79016211) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
PubChem CID79016211
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC NameN-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
SMILESCNCc1ccc(Sc2ccccc2)nc1
InChIInChI=1S/C13H14N2S/c1-14-9-11-7-8-13(15-10-11)16-12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3
InChIKeyMZAGSLFZPLIHSR-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine (CID 79016211) is N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine is CNCc1ccc(Sc2ccccc2)nc1.
What is the InChIKey of N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine?
The InChIKey is MZAGSLFZPLIHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-14-9-11-7-8-13(15-10-11)16-12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3.
What are the key properties of N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine?
N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine has a molecular weight of 230.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine is sourced from PubChem (CID 79016211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).