4-(2-propoxyethylsulfanyl)pyridin-3-amine

C10H16N2OS — CID 106453318

IUPAC4-(2-propoxyethylsulfanyl)pyridin-3-amine
SMILESCCCOCCSc1ccncc1N
InChIInChI=1S/C10H16N2OS/c1-2-5-13-6-7-14-10-3-4-12-8-9(10)11/h3-4,8H,2,5-7,11H2,1H3
InChIKeyWLORWLAZWYHDFN-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.18
Rot. Bonds6

About 4-(2-propoxyethylsulfanyl)pyridin-3-amine

4-(2-propoxyethylsulfanyl)pyridin-3-amine (PubChem CID 106453318) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-(2-propoxyethylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-propoxyethylsulfanyl)pyridin-3-amine
PubChem CID106453318
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-(2-propoxyethylsulfanyl)pyridin-3-amine
SMILESCCCOCCSc1ccncc1N
InChIInChI=1S/C10H16N2OS/c1-2-5-13-6-7-14-10-3-4-12-8-9(10)11/h3-4,8H,2,5-7,11H2,1H3
InChIKeyWLORWLAZWYHDFN-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

2-(2-propoxyethylsulfanyl)aniline
CID 106453300
4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299772
4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299979
4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026
4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
CID 60917186
4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine
CID 60893029
4-pent-3-ynylsulfanylpyridin-3-amine
CID 104808050
4-[2-[(3-amino-4-pyridinyl)sulfanyl]ethoxy]benzoic acid
CID 61319257
5-(2-propoxyethylsulfanyl)pyridin-2-amine
CID 106453324
4-(2-propoxyethylsulfinyl)pyridin-3-amine
CID 106455875
4-(2,2,2-trifluoroethoxymethylsulfanyl)pyridin-3-amine
CID 106705067
2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
CID 43300145

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyethylsulfanyl)pyridin-3-amine?
The IUPAC name of 4-(2-propoxyethylsulfanyl)pyridin-3-amine (CID 106453318) is 4-(2-propoxyethylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-propoxyethylsulfanyl)pyridin-3-amine?
The canonical SMILES for 4-(2-propoxyethylsulfanyl)pyridin-3-amine is CCCOCCSc1ccncc1N.
What is the InChIKey of 4-(2-propoxyethylsulfanyl)pyridin-3-amine?
The InChIKey is WLORWLAZWYHDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-5-13-6-7-14-10-3-4-12-8-9(10)11/h3-4,8H,2,5-7,11H2,1H3.
What are the key properties of 4-(2-propoxyethylsulfanyl)pyridin-3-amine?
4-(2-propoxyethylsulfanyl)pyridin-3-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 4-(2-propoxyethylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 106453318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).