6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine

C13H14N2OS — CID 80883462

IUPAC6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1cccc(Sc2ccc(OC)cc2)n1
InChIInChI=1S/C13H14N2OS/c1-14-12-4-3-5-13(15-12)17-11-8-6-10(16-2)7-9-11/h3-9H,1-2H3,(H,14,15)
InChIKeyMKMRRAIAAHFQTP-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.28
Rot. Bonds4

About 6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine

6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine (PubChem CID 80883462) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
PubChem CID80883462
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1cccc(Sc2ccc(OC)cc2)n1
InChIInChI=1S/C13H14N2OS/c1-14-12-4-3-5-13(15-12)17-11-8-6-10(16-2)7-9-11/h3-9H,1-2H3,(H,14,15)
InChIKeyMKMRRAIAAHFQTP-UHFFFAOYSA-N
XLogP3.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80892943
6-(3,4-difluorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 80887480
6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
CID 80884185
N-methyl-6-methylsulfanylpyridin-2-amine
CID 59956274
N-methyl-6-(4-methylsulfanylphenoxy)pyridin-2-amine
CID 80879367
6-(2,5-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
CID 80883999
[6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine
CID 80924040
5,8-bis[(4-methoxyphenyl)sulfanyl]-N-methylquinoxalin-2-amine
CID 71186469
6-[(4-methoxyphenyl)methoxy]-N-methylpyridin-2-amine
CID 80865107
methyl 2-[[6-(methylamino)-2-pyridinyl]sulfanyl]acetate
CID 80885986
6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80893702
6-(4-chlorophenyl)sulfanyl-N-propylpyridin-2-amine
CID 80887449

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine?
The IUPAC name of 6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine (CID 80883462) is 6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine?
The canonical SMILES for 6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine is CNc1cccc(Sc2ccc(OC)cc2)n1.
What is the InChIKey of 6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine?
The InChIKey is MKMRRAIAAHFQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-14-12-4-3-5-13(15-12)17-11-8-6-10(16-2)7-9-11/h3-9H,1-2H3,(H,14,15).
What are the key properties of 6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine?
6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine has a molecular weight of 246.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine is sourced from PubChem (CID 80883462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).