N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine

C9H14N2S — CID 83123655

IUPACN-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine
SMILESCNC(C)c1ccc(SC)cn1
InChIInChI=1S/C9H14N2S/c1-7(10-2)9-5-4-8(12-3)6-11-9/h4-7,10H,1-3H3
InChIKeyQMFBFRUALVYSPC-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.08
Rot. Bonds3

About N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine

N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine (PubChem CID 83123655) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine
PubChem CID83123655
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine
SMILESCNC(C)c1ccc(SC)cn1
InChIInChI=1S/C9H14N2S/c1-7(10-2)9-5-4-8(12-3)6-11-9/h4-7,10H,1-3H3
InChIKeyQMFBFRUALVYSPC-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
CID 83123422
N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine
CID 104603311
N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine
CID 83123351
1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
CID 83123803
1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
CID 83123746
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
N-methyl-1-[5-(2-methylsulfonylethylsulfanyl)-2-pyridinyl]ethanamine
CID 83124400
N-methyl-1-[5-[(2-methylphenyl)methylsulfanyl]-2-pyridinyl]ethanamine
CID 83124395
N-methyl-6-[1-(methylamino)ethyl]-N-(1-methylsulfanylpropan-2-yl)pyridin-3-amine
CID 112660607
N-methyl-5-methylsulfanylpyridin-2-amine
CID 68974266
1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone
CID 130654774
N-methyl-6-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)pyridin-3-amine
CID 112660503

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine?
The IUPAC name of N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine (CID 83123655) is N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine.
What is the SMILES notation for N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine?
The canonical SMILES for N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine is CNC(C)c1ccc(SC)cn1.
What is the InChIKey of N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine?
The InChIKey is QMFBFRUALVYSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7(10-2)9-5-4-8(12-3)6-11-9/h4-7,10H,1-3H3.
What are the key properties of N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine?
N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine has a molecular weight of 182.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 83123655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).