6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine

C15H18N2OS — CID 63537893

IUPAC6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine
SMILESCCCOc1nc(Sc2ccccc2C)ccc1N
InChIInChI=1S/C15H18N2OS/c1-3-10-18-15-12(16)8-9-14(17-15)19-13-7-5-4-6-11(13)2/h4-9H,3,10,16H2,1-2H3
InChIKeyVTKVDRQTWDYUQH-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.91
Rot. Bonds5

About 6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine

6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine (PubChem CID 63537893) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine
PubChem CID63537893
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine
SMILESCCCOc1nc(Sc2ccccc2C)ccc1N
InChIInChI=1S/C15H18N2OS/c1-3-10-18-15-12(16)8-9-14(17-15)19-13-7-5-4-6-11(13)2/h4-9H,3,10,16H2,1-2H3
InChIKeyVTKVDRQTWDYUQH-UHFFFAOYSA-N
XLogP3.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 43262808
6-(2-methoxyphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 61296899
2-propoxy-6-thiophen-2-ylsulfanylpyridin-3-amine
CID 43262850
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine
CID 115382794
5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738689
6-methoxy-2-propoxypyridin-3-amine
CID 43261942
6-(2-methylphenyl)sulfanylpyridin-3-amine
CID 901270
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine
CID 79176562
6-(4-methylpentan-2-yloxy)-2-propoxypyridin-3-amine
CID 43262325
1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151147
2-ethoxy-6-thiophen-2-ylsulfanylpyridin-3-amine
CID 43262852

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine?
The IUPAC name of 6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine (CID 63537893) is 6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine.
What is the SMILES notation for 6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine?
The canonical SMILES for 6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine is CCCOc1nc(Sc2ccccc2C)ccc1N.
What is the InChIKey of 6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine?
The InChIKey is VTKVDRQTWDYUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-10-18-15-12(16)8-9-14(17-15)19-13-7-5-4-6-11(13)2/h4-9H,3,10,16H2,1-2H3.
What are the key properties of 6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine?
6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine has a molecular weight of 274.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine is sourced from PubChem (CID 63537893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).