N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine

C9H14N2S — CID 102545175

IUPACN-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine
SMILESCNCc1cnc(SC)cc1C
InChIInChI=1S/C9H14N2S/c1-7-4-9(12-3)11-6-8(7)5-10-2/h4,6,10H,5H2,1-3H3
InChIKeyVKELSWQAZDBHGX-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.83
Rot. Bonds3

About N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine

N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine (PubChem CID 102545175) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine
PubChem CID102545175
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine
SMILESCNCc1cnc(SC)cc1C
InChIInChI=1S/C9H14N2S/c1-7-4-9(12-3)11-6-8(7)5-10-2/h4,6,10H,5H2,1-3H3
InChIKeyVKELSWQAZDBHGX-UHFFFAOYSA-N
XLogP1.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine (CID 102545175) is N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine is CNCc1cnc(SC)cc1C.
What is the InChIKey of N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine?
The InChIKey is VKELSWQAZDBHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-4-9(12-3)11-6-8(7)5-10-2/h4,6,10H,5H2,1-3H3.
What are the key properties of N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine?
N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine has a molecular weight of 182.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-6-methylsulfanyl-3-pyridinyl)methanamine is sourced from PubChem (CID 102545175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).