2-butylsulfinylpyridin-3-amine

C9H14N2OS — CID 61369064

IUPAC2-butylsulfinylpyridin-3-amine
SMILESCCCCS(=O)c1ncccc1N
InChIInChI=1S/C9H14N2OS/c1-2-3-7-13(12)9-8(10)5-4-6-11-9/h4-6H,2-3,7,10H2,1H3
InChIKeyNXDZHBHUSTZZOI-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.57
Rot. Bonds4

About 2-butylsulfinylpyridin-3-amine

2-butylsulfinylpyridin-3-amine (PubChem CID 61369064) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-butylsulfinylpyridin-3-amine.

Molecular Properties

Compound Name2-butylsulfinylpyridin-3-amine
PubChem CID61369064
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-butylsulfinylpyridin-3-amine
SMILESCCCCS(=O)c1ncccc1N
InChIInChI=1S/C9H14N2OS/c1-2-3-7-13(12)9-8(10)5-4-6-11-9/h4-6H,2-3,7,10H2,1H3
InChIKeyNXDZHBHUSTZZOI-UHFFFAOYSA-N
XLogP1.57
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinylpyridin-3-amine?
The IUPAC name of 2-butylsulfinylpyridin-3-amine (CID 61369064) is 2-butylsulfinylpyridin-3-amine.
What is the SMILES notation for 2-butylsulfinylpyridin-3-amine?
The canonical SMILES for 2-butylsulfinylpyridin-3-amine is CCCCS(=O)c1ncccc1N.
What is the InChIKey of 2-butylsulfinylpyridin-3-amine?
The InChIKey is NXDZHBHUSTZZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-3-7-13(12)9-8(10)5-4-6-11-9/h4-6H,2-3,7,10H2,1H3.
What are the key properties of 2-butylsulfinylpyridin-3-amine?
2-butylsulfinylpyridin-3-amine has a molecular weight of 198.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinylpyridin-3-amine is sourced from PubChem (CID 61369064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).