5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine

C12H20N2O3S — CID 104563701

IUPAC5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine
SMILESCOCCOCCOCCSc1ccc(N)nc1
InChIInChI=1S/C12H20N2O3S/c1-15-4-5-16-6-7-17-8-9-18-11-2-3-12(13)14-10-11/h2-3,10H,4-9H2,1H3,(H2,13,14)
InChIKeyKTUQUFZNIQEYON-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.44
Rot. Bonds10

About 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine

5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine (PubChem CID 104563701) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine
PubChem CID104563701
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine
SMILESCOCCOCCOCCSc1ccc(N)nc1
InChIInChI=1S/C12H20N2O3S/c1-15-4-5-16-6-7-17-8-9-18-11-2-3-12(13)14-10-11/h2-3,10H,4-9H2,1H3,(H2,13,14)
InChIKeyKTUQUFZNIQEYON-UHFFFAOYSA-N
XLogP1.44
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-propoxyethylsulfanyl)pyridin-2-amine
CID 106453324
5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine
CID 104562052
5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine
CID 43302059
5-(ethoxymethylsulfanyl)pyridin-2-amine
CID 65369754
5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine
CID 43301959
[5-(3-methoxypropylsulfanyl)-2-pyridinyl]methanamine
CID 115490313
5-[3-(methylamino)propylsulfanyl]pyridin-2-amine
CID 106318328
5-(4-methylpentylsulfanyl)pyridin-2-amine
CID 83158550
5-[3-(dimethylamino)propylsulfanyl]pyridin-2-amine
CID 82095718
5-[2-(2-methoxyethoxy)ethoxymethyl]pyrazin-2-amine
CID 103059455
4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide
CID 63891001
3-[(6-amino-3-pyridinyl)sulfanyl]propanehydrazide
CID 63590449

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine (CID 104563701) is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine is COCCOCCOCCSc1ccc(N)nc1.
What is the InChIKey of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine?
The InChIKey is KTUQUFZNIQEYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-15-4-5-16-6-7-17-8-9-18-11-2-3-12(13)14-10-11/h2-3,10H,4-9H2,1H3,(H2,13,14).
What are the key properties of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine?
5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine has a molecular weight of 272.37 g/mol, XLogP of 1.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 104563701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).