2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide

C9H20N2O3S — CID 81173878

IUPAC2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)S(=O)(=O)CCN
InChIInChI=1S/C9H20N2O3S/c1-4-11(5-2)9(12)8(3)15(13,14)7-6-10/h8H,4-7,10H2,1-3H3
InChIKeyWJQYGGVGKOYXKM-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.38
Rot. Bonds6

About 2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide

2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide (PubChem CID 81173878) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide
PubChem CID81173878
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)S(=O)(=O)CCN
InChIInChI=1S/C9H20N2O3S/c1-4-11(5-2)9(12)8(3)15(13,14)7-6-10/h8H,4-7,10H2,1-3H3
InChIKeyWJQYGGVGKOYXKM-UHFFFAOYSA-N
XLogP-0.38
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylpropanoic acid
CID 43117052
2-(2-aminoethylsulfonyl)-N-pentylpropanamide
CID 81175397
2-(1-aminopropan-2-ylamino)-N,N-diethylpropanamide
CID 103388840
2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide
CID 81175485
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104519374
2-[3-aminopropyl(methyl)amino]-N,N-diethylpropanamide
CID 43116469
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
2-(4-aminobutylsulfonyl)propanoic acid
CID 82180315
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104519364
2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide
CID 86992879
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104521764
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide?
The IUPAC name of 2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide (CID 81173878) is 2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)S(=O)(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide?
The InChIKey is WJQYGGVGKOYXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-4-11(5-2)9(12)8(3)15(13,14)7-6-10/h8H,4-7,10H2,1-3H3.
What are the key properties of 2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide?
2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide has a molecular weight of 236.34 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)-N,N-diethylpropanamide is sourced from PubChem (CID 81173878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).