N,N-diethyl-2-methylsulfonylethanamine

C7H17NO2S — CID 11435289

IUPACN,N-diethyl-2-methylsulfonylethanamine
SMILESCCN(CC)CCS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-4-8(5-2)6-7-11(3,9)10/h4-7H2,1-3H3
InChIKeyXQSPMNKGGYQHED-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.37
Rot. Bonds5

About N,N-diethyl-2-methylsulfonylethanamine

N,N-diethyl-2-methylsulfonylethanamine (PubChem CID 11435289) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N,N-diethyl-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-methylsulfonylethanamine
PubChem CID11435289
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN,N-diethyl-2-methylsulfonylethanamine
SMILESCCN(CC)CCS(C)(=O)=O
InChIInChI=1S/C7H17NO2S/c1-4-8(5-2)6-7-11(3,9)10/h4-7H2,1-3H3
InChIKeyXQSPMNKGGYQHED-UHFFFAOYSA-N
XLogP0.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylsulfonylethanamine?
The IUPAC name of N,N-diethyl-2-methylsulfonylethanamine (CID 11435289) is N,N-diethyl-2-methylsulfonylethanamine.
What is the SMILES notation for N,N-diethyl-2-methylsulfonylethanamine?
The canonical SMILES for N,N-diethyl-2-methylsulfonylethanamine is CCN(CC)CCS(C)(=O)=O.
What is the InChIKey of N,N-diethyl-2-methylsulfonylethanamine?
The InChIKey is XQSPMNKGGYQHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-4-8(5-2)6-7-11(3,9)10/h4-7H2,1-3H3.
What are the key properties of N,N-diethyl-2-methylsulfonylethanamine?
N,N-diethyl-2-methylsulfonylethanamine has a molecular weight of 179.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylsulfonylethanamine is sourced from PubChem (CID 11435289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).