2-amino-N-(2-sulfamoylethyl)ethanesulfonamide

C4H13N3O4S2 — CID 43552164

IUPAC2-amino-N-(2-sulfamoylethyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C4H13N3O4S2/c5-1-3-13(10,11)7-2-4-12(6,8)9/h7H,1-5H2,(H2,6,8,9)
InChIKeyGDCDTCSVQJFJJG-UHFFFAOYSA-N
MW231.30 g/mol
LogP-2.85
Rot. Bonds6

About 2-amino-N-(2-sulfamoylethyl)ethanesulfonamide

2-amino-N-(2-sulfamoylethyl)ethanesulfonamide (PubChem CID 43552164) has the molecular formula C4H13N3O4S2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-amino-N-(2-sulfamoylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-sulfamoylethyl)ethanesulfonamide
PubChem CID43552164
Molecular FormulaC4H13N3O4S2
Molecular Weight231.30 g/mol
Exact Mass231.03
IUPAC Name2-amino-N-(2-sulfamoylethyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCCS(N)(=O)=O
InChIInChI=1S/C4H13N3O4S2/c5-1-3-13(10,11)7-2-4-12(6,8)9/h7H,1-5H2,(H2,6,8,9)
InChIKeyGDCDTCSVQJFJJG-UHFFFAOYSA-N
XLogP-2.85
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-2.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-sulfamoylethyl)propane-1-sulfonamide
CID 61131733
2-amino-N-(2-hydroxyethyl)ethanesulfonamide
CID 87239494
N-(2-sulfamoylethyl)butane-1-sulfonamide
CID 61131734
2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide
CID 106427174
2-amino-N-(3-propoxypropyl)ethanesulfonamide
CID 82940128
4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide
CID 106335894
N-(2-aminoethyl)-3-chloropropane-1-sulfonamide
CID 61248217
2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]ethanesulfonamide
CID 94696964
2-amino-N-(2-cyclohexyloxyethyl)ethanesulfonamide
CID 63827888
2-(2-methoxyethylsulfamoylamino)ethanesulfonamide
CID 114816615
2-[(4-nitrophenyl)methylsulfonylamino]ethanesulfonamide
CID 61132756
cis-(1S,2R)-1-amino-2-[2-(2-aminoethylsulfonylamino)ethyl]cyclopropane-1-carboxylic acid
CID 102246407

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-sulfamoylethyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2-sulfamoylethyl)ethanesulfonamide (CID 43552164) is 2-amino-N-(2-sulfamoylethyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2-sulfamoylethyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2-sulfamoylethyl)ethanesulfonamide is NCCS(=O)(=O)NCCS(N)(=O)=O.
What is the InChIKey of 2-amino-N-(2-sulfamoylethyl)ethanesulfonamide?
The InChIKey is GDCDTCSVQJFJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3O4S2/c5-1-3-13(10,11)7-2-4-12(6,8)9/h7H,1-5H2,(H2,6,8,9).
What are the key properties of 2-amino-N-(2-sulfamoylethyl)ethanesulfonamide?
2-amino-N-(2-sulfamoylethyl)ethanesulfonamide has a molecular weight of 231.30 g/mol, XLogP of -2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-sulfamoylethyl)ethanesulfonamide is sourced from PubChem (CID 43552164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).