2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone

C15H20O3S — CID 58145595

IUPAC2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
SMILESCC(C)S(=O)(=O)Cc1ccc(C(=O)CC2CC2)cc1
InChIInChI=1S/C15H20O3S/c1-11(2)19(17,18)10-13-5-7-14(8-6-13)15(16)9-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyCREGBXDFJXHLSN-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.99
Rot. Bonds6

About 2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone

2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone (PubChem CID 58145595) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
PubChem CID58145595
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
SMILESCC(C)S(=O)(=O)Cc1ccc(C(=O)CC2CC2)cc1
InChIInChI=1S/C15H20O3S/c1-11(2)19(17,18)10-13-5-7-14(8-6-13)15(16)9-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3
InChIKeyCREGBXDFJXHLSN-UHFFFAOYSA-N
XLogP2.99
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145691
2-(4-tert-butylphenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58144991
N-[4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]phenyl]cyclohexanecarboxamide
CID 58145128
2-(2-fluoro-2,3-dihydro-1H-inden-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145705
2-(3-cyclopentyloxyphenyl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145169
4-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzenesulfonamide
CID 58143729
2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(4-propylphenyl)ethanone
CID 54503846
2-[4-(2,5-dihydropyrrol-1-yl)-2-methylphenyl]-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145036
2-(1-benzothiophen-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58144813
4-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]benzoic acid
CID 60952320
2-(4-butylcyclohexyl)-1-[4-(4-pentylphenyl)phenyl]ethanone
CID 70444561
3-methyl-5-[2-oxo-2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-N-propan-2-ylbenzamide
CID 58145503

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone (CID 58145595) is 2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone is CC(C)S(=O)(=O)Cc1ccc(C(=O)CC2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone?
The InChIKey is CREGBXDFJXHLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3S/c1-11(2)19(17,18)10-13-5-7-14(8-6-13)15(16)9-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone?
2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone has a molecular weight of 280.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone is sourced from PubChem (CID 58145595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).