N-methyl-2-methylsulfonylethanamine

C4H11NO2S — CID 3856040

IUPACN-methyl-2-methylsulfonylethanamine
SMILESCNCCS(C)(=O)=O
InChIInChI=1S/C4H11NO2S/c1-5-3-4-8(2,6)7/h5H,3-4H2,1-2H3
InChIKeyGCPNZCTVVWEQKX-UHFFFAOYSA-N
MW137.20 g/mol
LogP-0.75
Rot. Bonds3

About N-methyl-2-methylsulfonylethanamine

N-methyl-2-methylsulfonylethanamine (PubChem CID 3856040) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonylethanamine
PubChem CID3856040
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC NameN-methyl-2-methylsulfonylethanamine
SMILESCNCCS(C)(=O)=O
InChIInChI=1S/C4H11NO2S/c1-5-3-4-8(2,6)7/h5H,3-4H2,1-2H3
InChIKeyGCPNZCTVVWEQKX-UHFFFAOYSA-N
XLogP-0.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonylethanamine?
The IUPAC name of N-methyl-2-methylsulfonylethanamine (CID 3856040) is N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for N-methyl-2-methylsulfonylethanamine is CNCCS(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonylethanamine?
The InChIKey is GCPNZCTVVWEQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-5-3-4-8(2,6)7/h5H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfonylethanamine?
N-methyl-2-methylsulfonylethanamine has a molecular weight of 137.20 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 3856040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).