N,N-diethyl-2-ethylsulfonylacetamide

C8H17NO3S — CID 101095646

IUPACN,N-diethyl-2-ethylsulfonylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)CC
InChIInChI=1S/C8H17NO3S/c1-4-9(5-2)8(10)7-13(11,12)6-3/h4-7H2,1-3H3
InChIKeyLOMMJMJKECOQSW-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.29
Rot. Bonds5

About N,N-diethyl-2-ethylsulfonylacetamide

N,N-diethyl-2-ethylsulfonylacetamide (PubChem CID 101095646) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N,N-diethyl-2-ethylsulfonylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-ethylsulfonylacetamide
PubChem CID101095646
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN,N-diethyl-2-ethylsulfonylacetamide
SMILESCCN(CC)C(=O)CS(=O)(=O)CC
InChIInChI=1S/C8H17NO3S/c1-4-9(5-2)8(10)7-13(11,12)6-3/h4-7H2,1-3H3
InChIKeyLOMMJMJKECOQSW-UHFFFAOYSA-N
XLogP0.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.29
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-ethylsulfonylacetamide?
The IUPAC name of N,N-diethyl-2-ethylsulfonylacetamide (CID 101095646) is N,N-diethyl-2-ethylsulfonylacetamide.
What is the SMILES notation for N,N-diethyl-2-ethylsulfonylacetamide?
The canonical SMILES for N,N-diethyl-2-ethylsulfonylacetamide is CCN(CC)C(=O)CS(=O)(=O)CC.
What is the InChIKey of N,N-diethyl-2-ethylsulfonylacetamide?
The InChIKey is LOMMJMJKECOQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-4-9(5-2)8(10)7-13(11,12)6-3/h4-7H2,1-3H3.
What are the key properties of N,N-diethyl-2-ethylsulfonylacetamide?
N,N-diethyl-2-ethylsulfonylacetamide has a molecular weight of 207.29 g/mol, XLogP of 0.29, 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-ethylsulfonylacetamide is sourced from PubChem (CID 101095646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).