2-(3-phenoxypropylsulfinyl)pyridin-3-amine

C14H16N2O2S — CID 62937847

IUPAC2-(3-phenoxypropylsulfinyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)CCCOc1ccccc1
InChIInChI=1S/C14H16N2O2S/c15-13-8-4-9-16-14(13)19(17)11-5-10-18-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11,15H2
InChIKeyKDHCBJCGGVUPLD-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.24
Rot. Bonds6

About 2-(3-phenoxypropylsulfinyl)pyridin-3-amine

2-(3-phenoxypropylsulfinyl)pyridin-3-amine (PubChem CID 62937847) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(3-phenoxypropylsulfinyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(3-phenoxypropylsulfinyl)pyridin-3-amine
PubChem CID62937847
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(3-phenoxypropylsulfinyl)pyridin-3-amine
SMILESNc1cccnc1S(=O)CCCOc1ccccc1
InChIInChI=1S/C14H16N2O2S/c15-13-8-4-9-16-14(13)19(17)11-5-10-18-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11,15H2
InChIKeyKDHCBJCGGVUPLD-UHFFFAOYSA-N
XLogP2.24
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.24
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-pentylsulfinylpyridin-3-amine
CID 61369597
2-fluoro-4-(3-phenoxypropylsulfinyl)aniline
CID 81191334
2-(2,2-difluoroethylsulfinyl)pyridin-3-amine
CID 61367922
2-(pyridin-3-ylmethylsulfinyl)pyridin-3-amine
CID 61369062
3-chloro-4-(3-phenoxypropylsulfinyl)aniline
CID 81182036
[3-(4-phenoxybutoxy)-2-pyridinyl]hydrazine
CID 82056411
2-[3-(4-methoxyphenyl)sulfinylpropoxy]aniline
CID 61302811
2-[3-(2-fluorophenyl)sulfinylpropoxy]aniline
CID 61302417
2-[(4-iodophenyl)methylsulfinyl]pyridin-3-amine
CID 65476330
2-methyl-3-(2-phenoxyethoxy)pyridine
CID 59416564
2-[3-(4-bromophenyl)sulfinylpropoxy]aniline
CID 61289024
2-[(3-amino-2-pyridinyl)sulfinyl]-N-methylacetamide
CID 61368103

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropylsulfinyl)pyridin-3-amine?
The IUPAC name of 2-(3-phenoxypropylsulfinyl)pyridin-3-amine (CID 62937847) is 2-(3-phenoxypropylsulfinyl)pyridin-3-amine.
What is the SMILES notation for 2-(3-phenoxypropylsulfinyl)pyridin-3-amine?
The canonical SMILES for 2-(3-phenoxypropylsulfinyl)pyridin-3-amine is Nc1cccnc1S(=O)CCCOc1ccccc1.
What is the InChIKey of 2-(3-phenoxypropylsulfinyl)pyridin-3-amine?
The InChIKey is KDHCBJCGGVUPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-13-8-4-9-16-14(13)19(17)11-5-10-18-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11,15H2.
What are the key properties of 2-(3-phenoxypropylsulfinyl)pyridin-3-amine?
2-(3-phenoxypropylsulfinyl)pyridin-3-amine has a molecular weight of 276.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropylsulfinyl)pyridin-3-amine is sourced from PubChem (CID 62937847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).