methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine

C9H16N2O3S — CID 6420033

IUPACmethanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine
SMILESCNCCc1ccccn1.CS(=O)(=O)O
InChIInChI=1S/C8H12N2.CH4O3S/c1-9-7-5-8-4-2-3-6-10-8;1-5(2,3)4/h2-4,6,9H,5,7H2,1H3;1H3,(H,2,3,4)
InChIKeyFUWLKZQYMWTFBA-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.35
Rot. Bonds3

About methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine

methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine (PubChem CID 6420033) has the molecular formula C9H16N2O3S and a molecular weight of 232.31 g/mol. Its IUPAC name is methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Namemethanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine
PubChem CID6420033
Molecular FormulaC9H16N2O3S
Molecular Weight232.31 g/mol
Exact Mass232.09
IUPAC Namemethanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine
SMILESCNCCc1ccccn1.CS(=O)(=O)O
InChIInChI=1S/C8H12N2.CH4O3S/c1-9-7-5-8-4-2-3-6-10-8;1-5(2,3)4/h2-4,6,9H,5,7H2,1H3;1H3,(H,2,3,4)
InChIKeyFUWLKZQYMWTFBA-UHFFFAOYSA-N
XLogP0.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine (CID 6420033) is methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine is CNCCc1ccccn1.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is FUWLKZQYMWTFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.CH4O3S/c1-9-7-5-8-4-2-3-6-10-8;1-5(2,3)4/h2-4,6,9H,5,7H2,1H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine?
methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 232.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 6420033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).