2-[ethyl(propylsulfonyl)amino]acetic acid

C7H15NO4S — CID 61011722

IUPAC2-[ethyl(propylsulfonyl)amino]acetic acid
SMILESCCCS(=O)(=O)N(CC)CC(=O)O
InChIInChI=1S/C7H15NO4S/c1-3-5-13(11,12)8(4-2)6-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyJWRNGKVZKOPTIU-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.13
Rot. Bonds6

About 2-[ethyl(propylsulfonyl)amino]acetic acid

2-[ethyl(propylsulfonyl)amino]acetic acid (PubChem CID 61011722) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[ethyl(propylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(propylsulfonyl)amino]acetic acid
PubChem CID61011722
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-[ethyl(propylsulfonyl)amino]acetic acid
SMILESCCCS(=O)(=O)N(CC)CC(=O)O
InChIInChI=1S/C7H15NO4S/c1-3-5-13(11,12)8(4-2)6-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKeyJWRNGKVZKOPTIU-UHFFFAOYSA-N
XLogP0.13
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
2-[ethyl(propylsulfonyl)amino]-N,N-dimethylacetamide
CID 61383856
2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
CID 3615000
2-[dipropylsulfamoyl(ethyl)amino]acetic acid
CID 54900712
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101578
2-[ethyl(2-pyridin-4-ylethylsulfonyl)amino]acetic acid
CID 54900131
2-[carboxymethyl(2-methylsulfonylethylsulfonyl)amino]acetic acid
CID 63645411
2-[(2-amino-2-oxoethyl)-butylsulfonylamino]acetic acid
CID 107435665
3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
CID 43588558
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
2-[butylsulfonyl(prop-2-ynyl)amino]acetic acid
CID 79274979
N-[3-(diethylamino)propyl]-N-ethylpropane-1-sulfonamide
CID 102998334

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(propylsulfonyl)amino]acetic acid (CID 61011722) is 2-[ethyl(propylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(propylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(propylsulfonyl)amino]acetic acid is CCCS(=O)(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[ethyl(propylsulfonyl)amino]acetic acid?
The InChIKey is JWRNGKVZKOPTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-3-5-13(11,12)8(4-2)6-7(9)10/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-[ethyl(propylsulfonyl)amino]acetic acid?
2-[ethyl(propylsulfonyl)amino]acetic acid has a molecular weight of 209.27 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propylsulfonyl)amino]acetic acid is sourced from PubChem (CID 61011722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).