2-pentylsulfinylpyridin-3-amine

C10H16N2OS — CID 61369597

IUPAC2-pentylsulfinylpyridin-3-amine
SMILESCCCCCS(=O)c1ncccc1N
InChIInChI=1S/C10H16N2OS/c1-2-3-4-8-14(13)10-9(11)6-5-7-12-10/h5-7H,2-4,8,11H2,1H3
InChIKeyNAFIQGORADSRBD-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.96
Rot. Bonds5

About 2-pentylsulfinylpyridin-3-amine

2-pentylsulfinylpyridin-3-amine (PubChem CID 61369597) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-pentylsulfinylpyridin-3-amine.

Molecular Properties

Compound Name2-pentylsulfinylpyridin-3-amine
PubChem CID61369597
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-pentylsulfinylpyridin-3-amine
SMILESCCCCCS(=O)c1ncccc1N
InChIInChI=1S/C10H16N2OS/c1-2-3-4-8-14(13)10-9(11)6-5-7-12-10/h5-7H,2-4,8,11H2,1H3
InChIKeyNAFIQGORADSRBD-UHFFFAOYSA-N
XLogP1.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfinylpyridin-3-amine?
The IUPAC name of 2-pentylsulfinylpyridin-3-amine (CID 61369597) is 2-pentylsulfinylpyridin-3-amine.
What is the SMILES notation for 2-pentylsulfinylpyridin-3-amine?
The canonical SMILES for 2-pentylsulfinylpyridin-3-amine is CCCCCS(=O)c1ncccc1N.
What is the InChIKey of 2-pentylsulfinylpyridin-3-amine?
The InChIKey is NAFIQGORADSRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-3-4-8-14(13)10-9(11)6-5-7-12-10/h5-7H,2-4,8,11H2,1H3.
What are the key properties of 2-pentylsulfinylpyridin-3-amine?
2-pentylsulfinylpyridin-3-amine has a molecular weight of 212.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfinylpyridin-3-amine is sourced from PubChem (CID 61369597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).