1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea

C10H14N2O3S — CID 77059121

IUPAC1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea
SMILESCNC(=O)NCc1ccccc1S(C)(=O)=O
InChIInChI=1S/C10H14N2O3S/c1-11-10(13)12-7-8-5-3-4-6-9(8)16(2,14)15/h3-6H,7H2,1-2H3,(H2,11,12,13)
InChIKeyWOBAXFBHVMYUCT-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.52
Rot. Bonds3

About 1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea

1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea (PubChem CID 77059121) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea
PubChem CID77059121
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea
SMILESCNC(=O)NCc1ccccc1S(C)(=O)=O
InChIInChI=1S/C10H14N2O3S/c1-11-10(13)12-7-8-5-3-4-6-9(8)16(2,14)15/h3-6H,7H2,1-2H3,(H2,11,12,13)
InChIKeyWOBAXFBHVMYUCT-UHFFFAOYSA-N
XLogP0.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea?
The IUPAC name of 1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea (CID 77059121) is 1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea is CNC(=O)NCc1ccccc1S(C)(=O)=O.
What is the InChIKey of 1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea?
The InChIKey is WOBAXFBHVMYUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-11-10(13)12-7-8-5-3-4-6-9(8)16(2,14)15/h3-6H,7H2,1-2H3,(H2,11,12,13).
What are the key properties of 1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea?
1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea has a molecular weight of 242.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methylsulfonylphenyl)methyl]urea is sourced from PubChem (CID 77059121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).