2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide

C7H16N2O3S — CID 81175991

IUPAC2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CS(=O)(=O)CCN
InChIInChI=1S/C7H16N2O3S/c1-3-9(2)7(10)6-13(11,12)5-4-8/h3-6,8H2,1-2H3
InChIKeyRJOPXASFQKESKI-UHFFFAOYSA-N
MW208.28 g/mol
LogP-1.16
Rot. Bonds5

About 2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide

2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide (PubChem CID 81175991) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide
PubChem CID81175991
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CS(=O)(=O)CCN
InChIInChI=1S/C7H16N2O3S/c1-3-9(2)7(10)6-13(11,12)5-4-8/h3-6,8H2,1-2H3
InChIKeyRJOPXASFQKESKI-UHFFFAOYSA-N
XLogP-1.16
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethylsulfonyl)-N-ethyl-N-phenylacetamide
CID 82179979
4-amino-N-ethyl-N-methylbutanamide;hydrochloride
CID 173105098
2-ethylsulfonyl-N,N-dimethylacetamide
CID 58102305
3-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonylpropanoic acid
CID 82180523
3-(2-aminoethoxy)-N-ethyl-N-methylpropanamide
CID 162436526
N-butyl-2-(2-cyanoethylsulfonyl)-N-methylacetamide
CID 82181522
2-propylsulfonylethanamine;hydrochloride
CID 87608994
N-ethyl-N-methylbut-3-enamide
CID 23466641
2-(2-aminoethylsulfonyl)ethanamine;hydrochloride
CID 131728699
2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
CID 81174763
1-ethyl-1-methylurea
CID 3032104
ethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62012976

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide (CID 81175991) is 2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)CS(=O)(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide?
The InChIKey is RJOPXASFQKESKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-3-9(2)7(10)6-13(11,12)5-4-8/h3-6,8H2,1-2H3.
What are the key properties of 2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide?
2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide has a molecular weight of 208.28 g/mol, XLogP of -1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 81175991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).