methyl-methylsulfonyl-pyridin-2-ylazanium

C7H11N2O2S+ — CID 173207841

IUPACmethyl-methylsulfonyl-pyridin-2-ylazanium
SMILESC[NH+](c1ccccn1)S(C)(=O)=O
InChIInChI=1S/C7H10N2O2S/c1-9(12(2,10)11)7-5-3-4-6-8-7/h3-6H,1-2H3/p+1
InChIKeyDMPWOUKEHUZQAR-UHFFFAOYSA-O
MW187.24 g/mol
LogP-0.81
Rot. Bonds2

About methyl-methylsulfonyl-pyridin-2-ylazanium

methyl-methylsulfonyl-pyridin-2-ylazanium (PubChem CID 173207841) has the molecular formula C7H11N2O2S+ and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl-methylsulfonyl-pyridin-2-ylazanium.

Molecular Properties

Compound Namemethyl-methylsulfonyl-pyridin-2-ylazanium
PubChem CID173207841
Molecular FormulaC7H11N2O2S+
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Namemethyl-methylsulfonyl-pyridin-2-ylazanium
SMILESC[NH+](c1ccccn1)S(C)(=O)=O
InChIInChI=1S/C7H10N2O2S/c1-9(12(2,10)11)7-5-3-4-6-8-7/h3-6H,1-2H3/p+1
InChIKeyDMPWOUKEHUZQAR-UHFFFAOYSA-O
XLogP-0.81
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl-methylsulfonyl-pyridin-2-ylazanium 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 methyl-methylsulfonyl-pyridin-2-ylazanium?
The IUPAC name of methyl-methylsulfonyl-pyridin-2-ylazanium (CID 173207841) is methyl-methylsulfonyl-pyridin-2-ylazanium.
What is the SMILES notation for methyl-methylsulfonyl-pyridin-2-ylazanium?
The canonical SMILES for methyl-methylsulfonyl-pyridin-2-ylazanium is C[NH+](c1ccccn1)S(C)(=O)=O.
What is the InChIKey of methyl-methylsulfonyl-pyridin-2-ylazanium?
The InChIKey is DMPWOUKEHUZQAR-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2O2S/c1-9(12(2,10)11)7-5-3-4-6-8-7/h3-6H,1-2H3/p+1.
What are the key properties of methyl-methylsulfonyl-pyridin-2-ylazanium?
methyl-methylsulfonyl-pyridin-2-ylazanium has a molecular weight of 187.24 g/mol, XLogP of -0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylsulfonyl-pyridin-2-ylazanium is sourced from PubChem (CID 173207841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).