6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine

C16H20N2OS — CID 43262808

IUPAC6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine
SMILESCCCOc1nc(Sc2cc(C)ccc2C)ccc1N
InChIInChI=1S/C16H20N2OS/c1-4-9-19-16-13(17)7-8-15(18-16)20-14-10-11(2)5-6-12(14)3/h5-8,10H,4,9,17H2,1-3H3
InChIKeyLPTXPWLSVHYARC-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.22
Rot. Bonds5

About 6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine

6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine (PubChem CID 43262808) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine
PubChem CID43262808
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine
SMILESCCCOc1nc(Sc2cc(C)ccc2C)ccc1N
InChIInChI=1S/C16H20N2OS/c1-4-9-19-16-13(17)7-8-15(18-16)20-14-10-11(2)5-6-12(14)3/h5-8,10H,4,9,17H2,1-3H3
InChIKeyLPTXPWLSVHYARC-UHFFFAOYSA-N
XLogP4.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 63537893
6-(2-methoxyphenyl)sulfanyl-2-propoxypyridin-3-amine
CID 61296899
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propoxypyridin-3-amine
CID 115382794
2-propoxy-6-thiophen-2-ylsulfanylpyridin-3-amine
CID 43262850
5-[(5-amino-6-propoxy-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738689
4-(2,5-dimethylphenyl)sulfanyl-2-ethoxyaniline
CID 63676554
4-methyl-2-propoxyaniline
CID 24698653
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
CID 102924674
6-(2,5-dimethylphenyl)sulfanyl-N-propylpyridin-2-amine
CID 80893381
6-methoxy-2-propoxypyridin-3-amine
CID 43261942
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
2-N-(5-bromo-2-methylphenyl)-6-propoxypyridine-2,5-diamine
CID 43805886

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine?
The IUPAC name of 6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine (CID 43262808) is 6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine.
What is the SMILES notation for 6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine?
The canonical SMILES for 6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine is CCCOc1nc(Sc2cc(C)ccc2C)ccc1N.
What is the InChIKey of 6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine?
The InChIKey is LPTXPWLSVHYARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-9-19-16-13(17)7-8-15(18-16)20-14-10-11(2)5-6-12(14)3/h5-8,10H,4,9,17H2,1-3H3.
What are the key properties of 6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine?
6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine has a molecular weight of 288.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)sulfanyl-2-propoxypyridin-3-amine is sourced from PubChem (CID 43262808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).