2-sulfamoylethylurea

C3H9N3O3S — CID 43552136

IUPAC2-sulfamoylethylurea
SMILESNC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C3H9N3O3S/c4-3(7)6-1-2-10(5,8)9/h1-2H2,(H3,4,6,7)(H2,5,8,9)
InChIKeyBLPHAQRDUIDAHN-UHFFFAOYSA-N
MW167.19 g/mol
LogP-2.06
Rot. Bonds3

About 2-sulfamoylethylurea

2-sulfamoylethylurea (PubChem CID 43552136) has the molecular formula C3H9N3O3S and a molecular weight of 167.19 g/mol. Its IUPAC name is 2-sulfamoylethylurea.

Molecular Properties

Compound Name2-sulfamoylethylurea
PubChem CID43552136
Molecular FormulaC3H9N3O3S
Molecular Weight167.19 g/mol
Exact Mass167.04
IUPAC Name2-sulfamoylethylurea
SMILESNC(=O)NCCS(N)(=O)=O
InChIInChI=1S/C3H9N3O3S/c4-3(7)6-1-2-10(5,8)9/h1-2H2,(H3,4,6,7)(H2,5,8,9)
InChIKeyBLPHAQRDUIDAHN-UHFFFAOYSA-N
XLogP-2.06
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-sulfamoylethylurea?
The IUPAC name of 2-sulfamoylethylurea (CID 43552136) is 2-sulfamoylethylurea.
What is the SMILES notation for 2-sulfamoylethylurea?
The canonical SMILES for 2-sulfamoylethylurea is NC(=O)NCCS(N)(=O)=O.
What is the InChIKey of 2-sulfamoylethylurea?
The InChIKey is BLPHAQRDUIDAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O3S/c4-3(7)6-1-2-10(5,8)9/h1-2H2,(H3,4,6,7)(H2,5,8,9).
What are the key properties of 2-sulfamoylethylurea?
2-sulfamoylethylurea has a molecular weight of 167.19 g/mol, XLogP of -2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoylethylurea is sourced from PubChem (CID 43552136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).