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

C10H16N2O2S — CID 106455875

IUPAC4-(2-propoxyethylsulfinyl)pyridin-3-amine
SMILESCCCOCCS(=O)c1ccncc1N
InChIInChI=1S/C10H16N2O2S/c1-2-5-14-6-7-15(13)10-3-4-12-8-9(10)11/h3-4,8H,2,5-7,11H2,1H3
InChIKeyMKJIQAXQSNTVBG-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.20
Rot. Bonds6

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

4-(2-propoxyethylsulfinyl)pyridin-3-amine (PubChem CID 106455875) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(2-propoxyethylsulfinyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-propoxyethylsulfinyl)pyridin-3-amine
PubChem CID106455875
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(2-propoxyethylsulfinyl)pyridin-3-amine
SMILESCCCOCCS(=O)c1ccncc1N
InChIInChI=1S/C10H16N2O2S/c1-2-5-14-6-7-15(13)10-3-4-12-8-9(10)11/h3-4,8H,2,5-7,11H2,1H3
InChIKeyMKJIQAXQSNTVBG-UHFFFAOYSA-N
XLogP1.20
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.20
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

4-[2-(3-methylbutoxy)ethylsulfinyl]pyridin-3-amine
CID 62113145
5-bromo-2-(2-propoxyethylsulfinyl)aniline
CID 106459999
4-(2-propoxyethylsulfanyl)pyridin-3-amine
CID 106453318
4-(3-pyrrolidin-1-ylpropylsulfinyl)pyridin-3-amine
CID 62112145
4-[(2-methoxyphenyl)methylsulfinyl]pyridin-3-amine
CID 62113991
4-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
CID 62111987
2-chloro-4-(2-propoxyethylsulfinyl)aniline
CID 106460070
4-[(5-methyl-3-pyridinyl)methylsulfinyl]pyridin-3-amine
CID 102878475
N-(3-amino-4-pyridinyl)-2-propoxyacetamide
CID 107937504
2-[(3-amino-4-pyridinyl)sulfinyl]-N-methyl-N-propan-2-ylacetamide
CID 62113814
4-[(2-methyltetrazol-5-yl)methylsulfinyl]pyridin-3-amine
CID 107052262
2-[(3-amino-4-pyridinyl)sulfinyl]butanenitrile
CID 62113146

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyethylsulfinyl)pyridin-3-amine?
The IUPAC name of 4-(2-propoxyethylsulfinyl)pyridin-3-amine (CID 106455875) is 4-(2-propoxyethylsulfinyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-propoxyethylsulfinyl)pyridin-3-amine?
The canonical SMILES for 4-(2-propoxyethylsulfinyl)pyridin-3-amine is CCCOCCS(=O)c1ccncc1N.
What is the InChIKey of 4-(2-propoxyethylsulfinyl)pyridin-3-amine?
The InChIKey is MKJIQAXQSNTVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-5-14-6-7-15(13)10-3-4-12-8-9(10)11/h3-4,8H,2,5-7,11H2,1H3.
What are the key properties of 4-(2-propoxyethylsulfinyl)pyridin-3-amine?
4-(2-propoxyethylsulfinyl)pyridin-3-amine has a molecular weight of 228.32 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyethylsulfinyl)pyridin-3-amine is sourced from PubChem (CID 106455875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).