2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane

C15H22O3S — CID 83927004

IUPAC2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane
SMILESCC(Cc1cccc(S(=O)(=O)C(C)C)c1)C1OC1C
InChIInChI=1S/C15H22O3S/c1-10(2)19(16,17)14-7-5-6-13(9-14)8-11(3)15-12(4)18-15/h5-7,9-12,15H,8H2,1-4H3
InChIKeyGQKQZGJQSZUMRH-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.83
Rot. Bonds5

About 2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane

2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane (PubChem CID 83927004) has the molecular formula C15H22O3S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane.

Molecular Properties

Compound Name2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane
PubChem CID83927004
Molecular FormulaC15H22O3S
Molecular Weight282.41 g/mol
Exact Mass282.13
IUPAC Name2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane
SMILESCC(Cc1cccc(S(=O)(=O)C(C)C)c1)C1OC1C
InChIInChI=1S/C15H22O3S/c1-10(2)19(16,17)14-7-5-6-13(9-14)8-11(3)15-12(4)18-15/h5-7,9-12,15H,8H2,1-4H3
InChIKeyGQKQZGJQSZUMRH-UHFFFAOYSA-N
XLogP2.83
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-3-methyl-4-(3-propan-2-ylsulfonylphenyl)butan-1-ol
CID 83926926
3-ethyl-1-[(3-propan-2-ylsulfonylphenyl)methyl]azetidine
CID 167136362
1-hex-3-ynyl-3-propan-2-ylsulfonylbenzene
CID 83926978
1-methylsulfonyl-3-propan-2-ylsulfonylbenzene
CID 12763283
3-propan-2-ylsulfonylphenol
CID 23588863
6-(3-propan-2-ylsulfonylphenyl)hexan-3-amine
CID 83926961
3-(2-aminopropyl)benzenesulfonamide
CID 72637077
2-ethyl-2-(3-propan-2-ylsulfonylphenyl)-1,3-dioxolane
CID 83957502
3-[2-(3-ethyloxiran-2-yl)propyl]phenol
CID 83930339
1-(3-propan-2-ylsulfonylphenyl)butan-1-one
CID 83957507
3-(3-propan-2-ylsulfonylphenyl)prop-2-yne-1-thiol
CID 169487377
2-methyl-3-[2-(4-propan-2-ylsulfonylphenyl)propyl]oxirane
CID 83927122

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane?
The IUPAC name of 2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane (CID 83927004) is 2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane.
What is the SMILES notation for 2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane?
The canonical SMILES for 2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane is CC(Cc1cccc(S(=O)(=O)C(C)C)c1)C1OC1C.
What is the InChIKey of 2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane?
The InChIKey is GQKQZGJQSZUMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-10(2)19(16,17)14-7-5-6-13(9-14)8-11(3)15-12(4)18-15/h5-7,9-12,15H,8H2,1-4H3.
What are the key properties of 2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane?
2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane has a molecular weight of 282.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(3-propan-2-ylsulfonylphenyl)propan-2-yl]oxirane is sourced from PubChem (CID 83927004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).