6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine

C13H13ClN2S — CID 79239984

IUPAC6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CSc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2S/c1-15-13-4-2-3-11(16-13)9-17-12-7-5-10(14)6-8-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyJVKWATFENIMBCP-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.07
Rot. Bonds4

About 6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine

6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine (PubChem CID 79239984) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
PubChem CID79239984
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CSc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2S/c1-15-13-4-2-3-11(16-13)9-17-12-7-5-10(14)6-8-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyJVKWATFENIMBCP-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine
CID 79239474
6-[(4-chlorophenyl)methylsulfanylmethyl]-N-methylpyridin-2-amine
CID 114791858
6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 79238731
2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine
CID 79239232
6-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79243754
N-methyl-6-(pyridin-2-ylsulfanylmethyl)pyridin-2-amine
CID 79239819
6-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79233617
6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79233414
N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 79239132
6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79239390
4-methyl-3-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 79239238
3-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]propan-1-ol
CID 79238821

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine (CID 79239984) is 6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine is CNc1cccc(CSc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine?
The InChIKey is JVKWATFENIMBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c1-15-13-4-2-3-11(16-13)9-17-12-7-5-10(14)6-8-12/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine?
6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine has a molecular weight of 264.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 79239984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).