1-methyl-3-(2-propylsulfonylphenyl)urea

C11H16N2O3S — CID 117061578

IUPAC1-methyl-3-(2-propylsulfonylphenyl)urea
SMILESCCCS(=O)(=O)c1ccccc1NC(=O)NC
InChIInChI=1S/C11H16N2O3S/c1-3-8-17(15,16)10-7-5-4-6-9(10)13-11(14)12-2/h4-7H,3,8H2,1-2H3,(H2,12,13,14)
InChIKeyBBMAAGNOPZYOBX-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.62
Rot. Bonds4

About 1-methyl-3-(2-propylsulfonylphenyl)urea

1-methyl-3-(2-propylsulfonylphenyl)urea (PubChem CID 117061578) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-methyl-3-(2-propylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-propylsulfonylphenyl)urea
PubChem CID117061578
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1-methyl-3-(2-propylsulfonylphenyl)urea
SMILESCCCS(=O)(=O)c1ccccc1NC(=O)NC
InChIInChI=1S/C11H16N2O3S/c1-3-8-17(15,16)10-7-5-4-6-9(10)13-11(14)12-2/h4-7H,3,8H2,1-2H3,(H2,12,13,14)
InChIKeyBBMAAGNOPZYOBX-UHFFFAOYSA-N
XLogP1.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopropylmethylsulfonyl)phenyl]-3-methylurea
CID 117063350
N-ethyl-2-propylsulfonylaniline
CID 43453634
2-(2-propylsulfonylanilino)acetic acid
CID 43453612
2-[(2-propylsulfonylbenzoyl)amino]benzamide
CID 17224890
1-(2-propylsulfonylphenyl)butan-2-one
CID 63199177
N-(4-chlorocyclohexyl)-2-propylsulfonylaniline
CID 65027980
2-propylsulfonyl-N-prop-2-ynylaniline
CID 62141091
N-(4-acetamidophenyl)-2-propylsulfonylbenzamide
CID 17224883
3-methyl-2-[(2-propylsulfonylanilino)methyl]butanoic acid
CID 65226606
2-(2-propylsulfonylanilino)hexanoic acid
CID 43470254
1-[(2-propylsulfonylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115445689
2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol
CID 106172244

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-propylsulfonylphenyl)urea?
The IUPAC name of 1-methyl-3-(2-propylsulfonylphenyl)urea (CID 117061578) is 1-methyl-3-(2-propylsulfonylphenyl)urea.
What is the SMILES notation for 1-methyl-3-(2-propylsulfonylphenyl)urea?
The canonical SMILES for 1-methyl-3-(2-propylsulfonylphenyl)urea is CCCS(=O)(=O)c1ccccc1NC(=O)NC.
What is the InChIKey of 1-methyl-3-(2-propylsulfonylphenyl)urea?
The InChIKey is BBMAAGNOPZYOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-8-17(15,16)10-7-5-4-6-9(10)13-11(14)12-2/h4-7H,3,8H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-methyl-3-(2-propylsulfonylphenyl)urea?
1-methyl-3-(2-propylsulfonylphenyl)urea has a molecular weight of 256.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-propylsulfonylphenyl)urea is sourced from PubChem (CID 117061578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).