2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid

C7H14N2O5S — CID 43578475

IUPAC2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid
SMILESCCN(CC(=O)NC)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-3-9(4-6(10)8-2)15(13,14)5-7(11)12/h3-5H2,1-2H3,(H,8,10)(H,11,12)
InChIKeyUUDVQZOKMBIHMC-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.53
Rot. Bonds6

About 2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid

2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid (PubChem CID 43578475) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid
PubChem CID43578475
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid
SMILESCCN(CC(=O)NC)S(=O)(=O)CC(=O)O
InChIInChI=1S/C7H14N2O5S/c1-3-9(4-6(10)8-2)15(13,14)5-7(11)12/h3-5H2,1-2H3,(H,8,10)(H,11,12)
InChIKeyUUDVQZOKMBIHMC-UHFFFAOYSA-N
XLogP-1.53
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid (CID 43578475) is 2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid is CCN(CC(=O)NC)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid?
The InChIKey is UUDVQZOKMBIHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-3-9(4-6(10)8-2)15(13,14)5-7(11)12/h3-5H2,1-2H3,(H,8,10)(H,11,12).
What are the key properties of 2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid?
2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid has a molecular weight of 238.26 g/mol, XLogP of -1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43578475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).