1-ethyl-3-methylsulfonylurea

C4H10N2O3S — CID 88568550

IUPAC1-ethyl-3-methylsulfonylurea
SMILESCCNC(=O)NS(C)(=O)=O
InChIInChI=1S/C4H10N2O3S/c1-3-5-4(7)6-10(2,8)9/h3H2,1-2H3,(H2,5,6,7)
InChIKeyMGPYPOCKBWJTBJ-UHFFFAOYSA-N
MW166.20 g/mol
LogP-0.73
Rot. Bonds2

About 1-ethyl-3-methylsulfonylurea

1-ethyl-3-methylsulfonylurea (PubChem CID 88568550) has the molecular formula C4H10N2O3S and a molecular weight of 166.20 g/mol. Its IUPAC name is 1-ethyl-3-methylsulfonylurea.

Molecular Properties

Compound Name1-ethyl-3-methylsulfonylurea
PubChem CID88568550
Molecular FormulaC4H10N2O3S
Molecular Weight166.20 g/mol
Exact Mass166.04
IUPAC Name1-ethyl-3-methylsulfonylurea
SMILESCCNC(=O)NS(C)(=O)=O
InChIInChI=1S/C4H10N2O3S/c1-3-5-4(7)6-10(2,8)9/h3H2,1-2H3,(H2,5,6,7)
InChIKeyMGPYPOCKBWJTBJ-UHFFFAOYSA-N
XLogP-0.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylsulfonylurea?
The IUPAC name of 1-ethyl-3-methylsulfonylurea (CID 88568550) is 1-ethyl-3-methylsulfonylurea.
What is the SMILES notation for 1-ethyl-3-methylsulfonylurea?
The canonical SMILES for 1-ethyl-3-methylsulfonylurea is CCNC(=O)NS(C)(=O)=O.
What is the InChIKey of 1-ethyl-3-methylsulfonylurea?
The InChIKey is MGPYPOCKBWJTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O3S/c1-3-5-4(7)6-10(2,8)9/h3H2,1-2H3,(H2,5,6,7).
What are the key properties of 1-ethyl-3-methylsulfonylurea?
1-ethyl-3-methylsulfonylurea has a molecular weight of 166.20 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylsulfonylurea is sourced from PubChem (CID 88568550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).