2-[2-(ethylamino)ethylsulfonylamino]acetic acid

C6H14N2O4S — CID 87616397

IUPAC2-[2-(ethylamino)ethylsulfonylamino]acetic acid
SMILESCCNCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C6H14N2O4S/c1-2-7-3-4-13(11,12)8-5-6(9)10/h7-8H,2-5H2,1H3,(H,9,10)
InChIKeySKZHKUBUGZMLHH-UHFFFAOYSA-N
MW210.25 g/mol
LogP-1.40
Rot. Bonds7

About 2-[2-(ethylamino)ethylsulfonylamino]acetic acid

2-[2-(ethylamino)ethylsulfonylamino]acetic acid (PubChem CID 87616397) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(ethylamino)ethylsulfonylamino]acetic acid
PubChem CID87616397
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name2-[2-(ethylamino)ethylsulfonylamino]acetic acid
SMILESCCNCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C6H14N2O4S/c1-2-7-3-4-13(11,12)8-5-6(9)10/h7-8H,2-5H2,1H3,(H,9,10)
InChIKeySKZHKUBUGZMLHH-UHFFFAOYSA-N
XLogP-1.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-hydroxyethanesulfonamide
CID 138681118
2-(nonylsulfonylamino)acetic acid
CID 4052547
2-(tetracosylsulfonylamino)acetic acid
CID 101284702
N-(2,2-difluoroethyl)-2-(ethylamino)ethanesulfonamide
CID 115407704
2-(sulfomethylsulfonylamino)acetic acid
CID 175277486
2-(ethylamino)-N-(3-methylsulfanylpropyl)ethanesulfonamide
CID 63957898
6-[2-(ethylsulfamoyl)ethylamino]-6-oxohexanoic acid
CID 114174957
2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 106336717
3-[2-(propylamino)ethylsulfamoyl]propanoic acid
CID 62664050
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
N-propyl-2-(propylsulfonylamino)acetamide
CID 61383991
2-(ethylamino)-N-(3-methylpentan-3-yl)ethanesulfonamide
CID 106330262

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethylsulfonylamino]acetic acid?
The IUPAC name of 2-[2-(ethylamino)ethylsulfonylamino]acetic acid (CID 87616397) is 2-[2-(ethylamino)ethylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[2-(ethylamino)ethylsulfonylamino]acetic acid?
The canonical SMILES for 2-[2-(ethylamino)ethylsulfonylamino]acetic acid is CCNCCS(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-[2-(ethylamino)ethylsulfonylamino]acetic acid?
The InChIKey is SKZHKUBUGZMLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O4S/c1-2-7-3-4-13(11,12)8-5-6(9)10/h7-8H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-[2-(ethylamino)ethylsulfonylamino]acetic acid?
2-[2-(ethylamino)ethylsulfonylamino]acetic acid has a molecular weight of 210.25 g/mol, XLogP of -1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethylsulfonylamino]acetic acid is sourced from PubChem (CID 87616397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).