5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine

C16H20N2OS — CID 43301959

IUPAC5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine
SMILESCc1cc(C)cc(OCCCSc2ccc(N)nc2)c1
InChIInChI=1S/C16H20N2OS/c1-12-8-13(2)10-14(9-12)19-6-3-7-20-15-4-5-16(17)18-11-15/h4-5,8-11H,3,6-7H2,1-2H3,(H2,17,18)
InChIKeyRMNWXWFJHVEIJM-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.84
Rot. Bonds6

About 5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine

5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine (PubChem CID 43301959) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine
PubChem CID43301959
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine
SMILESCc1cc(C)cc(OCCCSc2ccc(N)nc2)c1
InChIInChI=1S/C16H20N2OS/c1-12-8-13(2)10-14(9-12)19-6-3-7-20-15-4-5-16(17)18-11-15/h4-5,8-11H,3,6-7H2,1-2H3,(H2,17,18)
InChIKeyRMNWXWFJHVEIJM-UHFFFAOYSA-N
XLogP3.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine
CID 43302059
5-(4-methylpentylsulfanyl)pyridin-2-amine
CID 83158550
5-[3-(methylamino)propylsulfanyl]pyridin-2-amine
CID 106318328
5-(2-propoxyethylsulfanyl)pyridin-2-amine
CID 106453324
5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine
CID 82095718
5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine
CID 104563701
3-[3-(3,5-dimethylphenoxy)propylsulfanyl]-2-methylaniline
CID 79127297
4-[3-(4-methylphenyl)sulfanylpropoxy]aniline
CID 43366275
4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropoxy]aniline
CID 62304959
4-chloro-2-[3-(3,5-dimethylphenoxy)propylsulfanyl]aniline
CID 79525145
4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide
CID 63891001
1-butoxy-3,5-dimethylbenzene;methanamine
CID 142103581

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine (CID 43301959) is 5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine is Cc1cc(C)cc(OCCCSc2ccc(N)nc2)c1.
What is the InChIKey of 5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine?
The InChIKey is RMNWXWFJHVEIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-8-13(2)10-14(9-12)19-6-3-7-20-15-4-5-16(17)18-11-15/h4-5,8-11H,3,6-7H2,1-2H3,(H2,17,18).
What are the key properties of 5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine?
5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine has a molecular weight of 288.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43301959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).