N,N-dimethyl-2-methylsulfonylethanamine

C5H13NO2S — CID 2817340

IUPACN,N-dimethyl-2-methylsulfonylethanamine
SMILESCN(C)CCS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-6(2)4-5-9(3,7)8/h4-5H2,1-3H3
InChIKeyICUCTTKYLZRAPJ-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.41
Rot. Bonds3

About N,N-dimethyl-2-methylsulfonylethanamine

N,N-dimethyl-2-methylsulfonylethanamine (PubChem CID 2817340) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is N,N-dimethyl-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-methylsulfonylethanamine
PubChem CID2817340
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC NameN,N-dimethyl-2-methylsulfonylethanamine
SMILESCN(C)CCS(C)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-6(2)4-5-9(3,7)8/h4-5H2,1-3H3
InChIKeyICUCTTKYLZRAPJ-UHFFFAOYSA-N
XLogP-0.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-methylsulfonylethanamine?
The IUPAC name of N,N-dimethyl-2-methylsulfonylethanamine (CID 2817340) is N,N-dimethyl-2-methylsulfonylethanamine.
What is the SMILES notation for N,N-dimethyl-2-methylsulfonylethanamine?
The canonical SMILES for N,N-dimethyl-2-methylsulfonylethanamine is CN(C)CCS(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-2-methylsulfonylethanamine?
The InChIKey is ICUCTTKYLZRAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-6(2)4-5-9(3,7)8/h4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-2-methylsulfonylethanamine?
N,N-dimethyl-2-methylsulfonylethanamine has a molecular weight of 151.23 g/mol, XLogP of -0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-methylsulfonylethanamine is sourced from PubChem (CID 2817340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).