2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone

C16H22OS — CID 116505609

IUPAC2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone
SMILESCC(C)(C)SCC(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H22OS/c1-16(2,3)18-11-15(17)14-9-7-13(8-10-14)12-5-4-6-12/h7-10,12H,4-6,11H2,1-3H3
InChIKeyFPEDCNYTQNVPND-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.67
Rot. Bonds4

About 2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone

2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone (PubChem CID 116505609) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone
PubChem CID116505609
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone
SMILESCC(C)(C)SCC(=O)c1ccc(C2CCC2)cc1
InChIInChI=1S/C16H22OS/c1-16(2,3)18-11-15(17)14-9-7-13(8-10-14)12-5-4-6-12/h7-10,12H,4-6,11H2,1-3H3
InChIKeyFPEDCNYTQNVPND-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone 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

1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone
CID 116505606
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
1-(4-cyclobutylphenyl)-3-methoxy-3-methylbutan-1-one
CID 103023554
1-(4-cyclobutylphenyl)-2-(methylamino)ethanone
CID 116553849
1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 116505636
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
1-(4-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105131775
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
4-chloro-1-(4-cyclobutylphenyl)butan-1-one
CID 116505632
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone?
The IUPAC name of 2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone (CID 116505609) is 2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone.
What is the SMILES notation for 2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone?
The canonical SMILES for 2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone is CC(C)(C)SCC(=O)c1ccc(C2CCC2)cc1.
What is the InChIKey of 2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone?
The InChIKey is FPEDCNYTQNVPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c1-16(2,3)18-11-15(17)14-9-7-13(8-10-14)12-5-4-6-12/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of 2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone?
2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone has a molecular weight of 262.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-(4-cyclobutylphenyl)ethanone is sourced from PubChem (CID 116505609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).