6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine

C10H16N2OS — CID 75524264

IUPAC6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine
SMILESCc1cccc(NCCCS(C)=O)n1
InChIInChI=1S/C10H16N2OS/c1-9-5-3-6-10(12-9)11-7-4-8-14(2)13/h3,5-6H,4,7-8H2,1-2H3,(H,11,12)
InChIKeyPVJUIWDZKXJRAO-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.57
Rot. Bonds5

About 6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine

6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine (PubChem CID 75524264) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine
PubChem CID75524264
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine
SMILESCc1cccc(NCCCS(C)=O)n1
InChIInChI=1S/C10H16N2OS/c1-9-5-3-6-10(12-9)11-7-4-8-14(2)13/h3,5-6H,4,7-8H2,1-2H3,(H,11,12)
InChIKeyPVJUIWDZKXJRAO-UHFFFAOYSA-N
XLogP1.57
TPSA41.99 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 ≤ 51.57
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 6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine?
The IUPAC name of 6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine (CID 75524264) is 6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine?
The canonical SMILES for 6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine is Cc1cccc(NCCCS(C)=O)n1.
What is the InChIKey of 6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine?
The InChIKey is PVJUIWDZKXJRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-9-5-3-6-10(12-9)11-7-4-8-14(2)13/h3,5-6H,4,7-8H2,1-2H3,(H,11,12).
What are the key properties of 6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine?
6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylsulfinylpropyl)pyridin-2-amine is sourced from PubChem (CID 75524264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).