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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Related Compounds

N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 59762109
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79859242
[2-methylsulfonylethyl(propyl)amino]methanol
CID 174108429
N,N-diethyl-2-(trifluoromethylsulfonyl)ethanamine
CID 165346498
1-N,1-N,3-N-triethyl-5-methylsulfonylpentane-1,3-diamine
CID 79086946
N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615294
N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
CID 123795315
N,N-diethyl-3-hydrazinyl-6-methylsulfonylhexan-1-amine
CID 105243995
2-[2-(diethylamino)ethylsulfonylsulfanyl]-N,N-diethylethanamine;dihydrochloride
CID 131886661
5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901421
N-iodo-N-methyl-2-methylsulfonylethanamine
CID 130371768
N-ethyl-N-(2-methylsulfonylethyl)heptan-4-amine
CID 155420092

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).