3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea

C11H19N3O4S — CID 122563561

IUPAC3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea
SMILESCN(Cc1ccoc1)C(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C11H19N3O4S/c1-13(2)19(16,17)7-5-12-11(15)14(3)8-10-4-6-18-9-10/h4,6,9H,5,7-8H2,1-3H3,(H,12,15)
InChIKeySIEXWEPFJDZUQC-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.31
Rot. Bonds6

About 3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea

3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea (PubChem CID 122563561) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea
PubChem CID122563561
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea
SMILESCN(Cc1ccoc1)C(=O)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C11H19N3O4S/c1-13(2)19(16,17)7-5-12-11(15)14(3)8-10-4-6-18-9-10/h4,6,9H,5,7-8H2,1-3H3,(H,12,15)
InChIKeySIEXWEPFJDZUQC-UHFFFAOYSA-N
XLogP0.31
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea?
The IUPAC name of 3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea (CID 122563561) is 3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea?
The canonical SMILES for 3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea is CN(Cc1ccoc1)C(=O)NCCS(=O)(=O)N(C)C.
What is the InChIKey of 3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea?
The InChIKey is SIEXWEPFJDZUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-13(2)19(16,17)7-5-12-11(15)14(3)8-10-4-6-18-9-10/h4,6,9H,5,7-8H2,1-3H3,(H,12,15).
What are the key properties of 3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea?
3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea has a molecular weight of 289.36 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoyl)ethyl]-1-(furan-3-ylmethyl)-1-methylurea is sourced from PubChem (CID 122563561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).