N-methyl-2-pyridin-2-ylsulfonylethanamine

C8H12N2O2S — CID 71130386

IUPACN-methyl-2-pyridin-2-ylsulfonylethanamine
SMILESCNCCS(=O)(=O)c1ccccn1
InChIInChI=1S/C8H12N2O2S/c1-9-6-7-13(11,12)8-4-2-3-5-10-8/h2-5,9H,6-7H2,1H3
InChIKeyMTCCKGADCVWLKP-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.07
Rot. Bonds4

About N-methyl-2-pyridin-2-ylsulfonylethanamine

N-methyl-2-pyridin-2-ylsulfonylethanamine (PubChem CID 71130386) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-methyl-2-pyridin-2-ylsulfonylethanamine.

Molecular Properties

Compound NameN-methyl-2-pyridin-2-ylsulfonylethanamine
PubChem CID71130386
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-methyl-2-pyridin-2-ylsulfonylethanamine
SMILESCNCCS(=O)(=O)c1ccccn1
InChIInChI=1S/C8H12N2O2S/c1-9-6-7-13(11,12)8-4-2-3-5-10-8/h2-5,9H,6-7H2,1H3
InChIKeyMTCCKGADCVWLKP-UHFFFAOYSA-N
XLogP0.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-2-ylsulfonylethanamine?
The IUPAC name of N-methyl-2-pyridin-2-ylsulfonylethanamine (CID 71130386) is N-methyl-2-pyridin-2-ylsulfonylethanamine.
What is the SMILES notation for N-methyl-2-pyridin-2-ylsulfonylethanamine?
The canonical SMILES for N-methyl-2-pyridin-2-ylsulfonylethanamine is CNCCS(=O)(=O)c1ccccn1.
What is the InChIKey of N-methyl-2-pyridin-2-ylsulfonylethanamine?
The InChIKey is MTCCKGADCVWLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-9-6-7-13(11,12)8-4-2-3-5-10-8/h2-5,9H,6-7H2,1H3.
What are the key properties of N-methyl-2-pyridin-2-ylsulfonylethanamine?
N-methyl-2-pyridin-2-ylsulfonylethanamine has a molecular weight of 200.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-2-ylsulfonylethanamine is sourced from PubChem (CID 71130386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).