1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea

C12H19N3O3S — CID 106335754

IUPAC1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea
SMILESCN(C)S(=O)(=O)CCNC(=O)NCc1ccccc1
InChIInChI=1S/C12H19N3O3S/c1-15(2)19(17,18)9-8-13-12(16)14-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,13,14,16)
InChIKeyDDKFRBBDAGOAAO-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.38
Rot. Bonds6

About 1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea

1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea (PubChem CID 106335754) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea
PubChem CID106335754
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea
SMILESCN(C)S(=O)(=O)CCNC(=O)NCc1ccccc1
InChIInChI=1S/C12H19N3O3S/c1-15(2)19(17,18)9-8-13-12(16)14-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,13,14,16)
InChIKeyDDKFRBBDAGOAAO-UHFFFAOYSA-N
XLogP0.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
1-[2-(dimethylsulfamoyl)ethyl]-3-propylurea
CID 106335770
1-benzyl-3-[2-(methylamino)ethyl]urea;hydrochloride
CID 155817741
(2R)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337291
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
1-benzyl-3-but-3-ynylurea
CID 56765727
(benzylcarbamoylamino)methanesulfonic acid
CID 14889772
1-benzyl-3-(3-hydroxypropyl)urea
CID 11298735
1-benzyl-3-(3-hydroxybutyl)urea
CID 103670110
1-benzyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
CID 110747692
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
1-benzyl-3-(5-hydroxypentyl)urea
CID 108871315

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea (CID 106335754) is 1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea is CN(C)S(=O)(=O)CCNC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea?
The InChIKey is DDKFRBBDAGOAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-15(2)19(17,18)9-8-13-12(16)14-10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea?
1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea has a molecular weight of 285.37 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(dimethylsulfamoyl)ethyl]urea is sourced from PubChem (CID 106335754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).