1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea

C11H16N2O3S — CID 115168262

IUPAC1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea
SMILESCC(C)S(=O)(=O)c1ccc(N(C)C(N)=O)cc1
InChIInChI=1S/C11H16N2O3S/c1-8(2)17(15,16)10-6-4-9(5-7-10)13(3)11(12)14/h4-8H,1-3H3,(H2,12,14)
InChIKeyAHJYTXLMQAHOEX-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.38
Rot. Bonds3

About 1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea

1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea (PubChem CID 115168262) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea
PubChem CID115168262
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea
SMILESCC(C)S(=O)(=O)c1ccc(N(C)C(N)=O)cc1
InChIInChI=1S/C11H16N2O3S/c1-8(2)17(15,16)10-6-4-9(5-7-10)13(3)11(12)14/h4-8H,1-3H3,(H2,12,14)
InChIKeyAHJYTXLMQAHOEX-UHFFFAOYSA-N
XLogP1.38
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea?
The IUPAC name of 1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea (CID 115168262) is 1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea?
The canonical SMILES for 1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea is CC(C)S(=O)(=O)c1ccc(N(C)C(N)=O)cc1.
What is the InChIKey of 1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea?
The InChIKey is AHJYTXLMQAHOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(2)17(15,16)10-6-4-9(5-7-10)13(3)11(12)14/h4-8H,1-3H3,(H2,12,14).
What are the key properties of 1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea?
1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea has a molecular weight of 256.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-propan-2-ylsulfonylphenyl)urea is sourced from PubChem (CID 115168262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).