5-(2-propoxyethylsulfanyl)pyridin-2-amine

C10H16N2OS — CID 106453324

IUPAC5-(2-propoxyethylsulfanyl)pyridin-2-amine
SMILESCCCOCCSc1ccc(N)nc1
InChIInChI=1S/C10H16N2OS/c1-2-5-13-6-7-14-9-3-4-10(11)12-8-9/h3-4,8H,2,5-7H2,1H3,(H2,11,12)
InChIKeyVIFWFHBGAKYIMO-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.18
Rot. Bonds6

About 5-(2-propoxyethylsulfanyl)pyridin-2-amine

5-(2-propoxyethylsulfanyl)pyridin-2-amine (PubChem CID 106453324) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(2-propoxyethylsulfanyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2-propoxyethylsulfanyl)pyridin-2-amine
PubChem CID106453324
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5-(2-propoxyethylsulfanyl)pyridin-2-amine
SMILESCCCOCCSc1ccc(N)nc1
InChIInChI=1S/C10H16N2OS/c1-2-5-13-6-7-14-9-3-4-10(11)12-8-9/h3-4,8H,2,5-7H2,1H3,(H2,11,12)
InChIKeyVIFWFHBGAKYIMO-UHFFFAOYSA-N
XLogP2.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.18
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-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine
CID 104563701
5-(ethoxymethylsulfanyl)pyridin-2-amine
CID 65369754
5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine
CID 43302059
5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine
CID 43301959
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
4-(2-propoxyethylsulfanyl)pyridin-3-amine
CID 106453318
5-[(E)-but-2-enyl]sulfanylpyridin-2-amine
CID 43302260
2-(2-propoxyethylsulfanyl)aniline
CID 106453300
4-[(6-amino-3-pyridinyl)sulfanyl]-N-methylbutanamide
CID 63891001
5-(propoxymethyl)pyrazin-2-amine
CID 103058721

Frequently Asked Questions

What is the IUPAC name of 5-(2-propoxyethylsulfanyl)pyridin-2-amine?
The IUPAC name of 5-(2-propoxyethylsulfanyl)pyridin-2-amine (CID 106453324) is 5-(2-propoxyethylsulfanyl)pyridin-2-amine.
What is the SMILES notation for 5-(2-propoxyethylsulfanyl)pyridin-2-amine?
The canonical SMILES for 5-(2-propoxyethylsulfanyl)pyridin-2-amine is CCCOCCSc1ccc(N)nc1.
What is the InChIKey of 5-(2-propoxyethylsulfanyl)pyridin-2-amine?
The InChIKey is VIFWFHBGAKYIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-5-13-6-7-14-9-3-4-10(11)12-8-9/h3-4,8H,2,5-7H2,1H3,(H2,11,12).
What are the key properties of 5-(2-propoxyethylsulfanyl)pyridin-2-amine?
5-(2-propoxyethylsulfanyl)pyridin-2-amine has a molecular weight of 212.32 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propoxyethylsulfanyl)pyridin-2-amine is sourced from PubChem (CID 106453324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).