4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide

C12H17NO3S — CID 89212205

IUPAC4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H]1CO1
InChIInChI=1S/C12H17NO3S/c1-3-11(12-8-16-12)13-17(14,15)10-6-4-9(2)5-7-10/h4-7,11-13H,3,8H2,1-2H3/t11-,12+/m1/s1
InChIKeyIUOUJYNWXXVCTO-NEPJUHHUSA-N
MW255.34 g/mol
LogP1.45
Rot. Bonds5

About 4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide

4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide (PubChem CID 89212205) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide
PubChem CID89212205
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide
SMILESCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H]1CO1
InChIInChI=1S/C12H17NO3S/c1-3-11(12-8-16-12)13-17(14,15)10-6-4-9(2)5-7-10/h4-7,11-13H,3,8H2,1-2H3/t11-,12+/m1/s1
InChIKeyIUOUJYNWXXVCTO-NEPJUHHUSA-N
XLogP1.45
TPSA58.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide with MolForge

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Related Compounds

4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide
CID 10060253
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
4-methyl-N-(1-oxobutan-2-yl)benzenesulfonamide
CID 173407704
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
4-methyl-N-[2-methyl-1-(4-methylphenyl)sulfonylbutyl]benzenesulfonamide
CID 71762025
N-[1-[dimethyl(phenyl)silyl]propyl]-4-methylbenzenesulfonamide
CID 164685920
4-methyl-N-[(2R,3S)-2-methyl-1-oxopentan-3-yl]benzenesulfonamide
CID 102085271
4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147
4-methyl-N-[1-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 101185105
4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711650
N-[2,2-bis[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 175193129

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide (CID 89212205) is 4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide is CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H]1CO1.
What is the InChIKey of 4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide?
The InChIKey is IUOUJYNWXXVCTO-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-11(12-8-16-12)13-17(14,15)10-6-4-9(2)5-7-10/h4-7,11-13H,3,8H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide?
4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-[(2R)-oxiran-2-yl]propyl]benzenesulfonamide is sourced from PubChem (CID 89212205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).