4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine

C16H21N3S — CID 66098635

IUPAC4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine
SMILESCNC(CSc1ccccc1C)c1c(C)ccnc1N
InChIInChI=1S/C16H21N3S/c1-11-6-4-5-7-14(11)20-10-13(18-3)15-12(2)8-9-19-16(15)17/h4-9,13,18H,10H2,1-3H3,(H2,17,19)
InChIKeyCLSGVECSPZNPCV-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.33
Rot. Bonds5

About 4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine

4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine (PubChem CID 66098635) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine
PubChem CID66098635
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine
SMILESCNC(CSc1ccccc1C)c1c(C)ccnc1N
InChIInChI=1S/C16H21N3S/c1-11-6-4-5-7-14(11)20-10-13(18-3)15-12(2)8-9-19-16(15)17/h4-9,13,18H,10H2,1-3H3,(H2,17,19)
InChIKeyCLSGVECSPZNPCV-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-fluorophenyl)sulfanyl-1-(methylamino)ethyl]-4-methylpyridin-2-amine
CID 66071805
3-[1-hydrazinyl-2-(4-methylphenyl)sulfanylethyl]-4-methylpyridin-2-amine
CID 105237021
N-methyl-1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649227
3-[1-hydrazinyl-2-(2-methylphenyl)ethyl]-4-methylpyridin-2-amine
CID 105208463
1-(4-chlorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66099055
N-methyl-2-(2-methylphenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66096332
1-(4-ethylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 64649870
3-[1-(ethylamino)-2-ethylsulfanylethyl]-4-methylpyridin-2-amine
CID 65128214
3-[(2-methylphenyl)sulfanylmethyl]pyridin-2-amine
CID 62468560
3-(1-hydrazinyl-2-pyridin-2-ylethyl)-4-methylpyridin-2-amine
CID 105200002
[2-(2-methylphenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105237305
1-(3-chloro-4-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 107560397

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine?
The IUPAC name of 4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine (CID 66098635) is 4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine is CNC(CSc1ccccc1C)c1c(C)ccnc1N.
What is the InChIKey of 4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine?
The InChIKey is CLSGVECSPZNPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-11-6-4-5-7-14(11)20-10-13(18-3)15-12(2)8-9-19-16(15)17/h4-9,13,18H,10H2,1-3H3,(H2,17,19).
What are the key properties of 4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine?
4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine has a molecular weight of 287.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(methylamino)-2-(2-methylphenyl)sulfanylethyl]pyridin-2-amine is sourced from PubChem (CID 66098635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).