4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine

C13H14N2OS — CID 113368207

IUPAC4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1cc(Sc2cccc(OC)c2)ccn1
InChIInChI=1S/C13H14N2OS/c1-14-13-9-12(6-7-15-13)17-11-5-3-4-10(8-11)16-2/h3-9H,1-2H3,(H,14,15)
InChIKeyQVRIUCMMJADLBZ-UHFFFAOYSA-N
MW246.34 g/mol
LogP3.28
Rot. Bonds4

About 4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine

4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine (PubChem CID 113368207) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
PubChem CID113368207
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1cc(Sc2cccc(OC)c2)ccn1
InChIInChI=1S/C13H14N2OS/c1-14-13-9-12(6-7-15-13)17-11-5-3-4-10(8-11)16-2/h3-9H,1-2H3,(H,14,15)
InChIKeyQVRIUCMMJADLBZ-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 ≤ 500246.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
CID 80884185
6-(3-methoxyphenyl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775008
4-(4-aminophenyl)sulfanyl-N-methylpyridin-2-amine
CID 67177740
4-N-[(3-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine
CID 113367561
4-(3-methoxyphenyl)sulfanyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566730
2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62191311
2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
CID 18738972
N-(3-methoxyphenyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62158204
2-ethyl-6-(3-methoxyphenyl)sulfanyl-N-propylpyrimidin-4-amine
CID 80939308
2-(3-methoxyphenyl)sulfanyl-7H-purine
CID 140979991
2-(3-methoxyphenyl)sulfanyl-5-methylpyridin-3-amine
CID 66280907
2-ethoxy-4-(3-methoxyphenyl)sulfanylaniline
CID 63675963

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine (CID 113368207) is 4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine is CNc1cc(Sc2cccc(OC)c2)ccn1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine?
The InChIKey is QVRIUCMMJADLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-14-13-9-12(6-7-15-13)17-11-5-3-4-10(8-11)16-2/h3-9H,1-2H3,(H,14,15).
What are the key properties of 4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine?
4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine has a molecular weight of 246.34 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 4-(3-methoxyphenyl)sulfanyl-N-methylpyridin-2-amine is sourced from PubChem (CID 113368207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).