(4-methyl-4-methylsulfonylpentan-2-yl)benzene

C13H20O2S — CID 134582598

IUPAC(4-methyl-4-methylsulfonylpentan-2-yl)benzene
SMILESCC(CC(C)(C)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H20O2S/c1-11(12-8-6-5-7-9-12)10-13(2,3)16(4,14)15/h5-9,11H,10H2,1-4H3
InChIKeyUHSAORPAGZZUDG-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.00
Rot. Bonds4

About (4-methyl-4-methylsulfonylpentan-2-yl)benzene

(4-methyl-4-methylsulfonylpentan-2-yl)benzene (PubChem CID 134582598) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is (4-methyl-4-methylsulfonylpentan-2-yl)benzene.

Molecular Properties

Compound Name(4-methyl-4-methylsulfonylpentan-2-yl)benzene
PubChem CID134582598
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name(4-methyl-4-methylsulfonylpentan-2-yl)benzene
SMILESCC(CC(C)(C)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H20O2S/c1-11(12-8-6-5-7-9-12)10-13(2,3)16(4,14)15/h5-9,11H,10H2,1-4H3
InChIKeyUHSAORPAGZZUDG-UHFFFAOYSA-N
XLogP3.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methyl-4-methylsulfonylpentan-2-yl)benzene 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

(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
butan-2-ylbenzene;1,4-di(butan-2-yl)benzene;hydron;methanesulfonate
CID 162215366
(4R)-2,2-dimethyl-4-phenylpentan-1-ol
CID 135189920
2-[(2R)-2-phenylpropyl]sulfonylpropan-2-amine
CID 68807261
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
(2S)-2-phenylpropane-1-sulfonyl chloride
CID 98112212
2-phenylpropane-1-sulfonic acid
CID 18989058
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(2-amino-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 113282766
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686473
N-(2-bromo-4,4-dimethylpentyl)-2-phenylpropane-1-sulfonamide
CID 107158108

Frequently Asked Questions

What is the IUPAC name of (4-methyl-4-methylsulfonylpentan-2-yl)benzene?
The IUPAC name of (4-methyl-4-methylsulfonylpentan-2-yl)benzene (CID 134582598) is (4-methyl-4-methylsulfonylpentan-2-yl)benzene.
What is the SMILES notation for (4-methyl-4-methylsulfonylpentan-2-yl)benzene?
The canonical SMILES for (4-methyl-4-methylsulfonylpentan-2-yl)benzene is CC(CC(C)(C)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of (4-methyl-4-methylsulfonylpentan-2-yl)benzene?
The InChIKey is UHSAORPAGZZUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-11(12-8-6-5-7-9-12)10-13(2,3)16(4,14)15/h5-9,11H,10H2,1-4H3.
What are the key properties of (4-methyl-4-methylsulfonylpentan-2-yl)benzene?
(4-methyl-4-methylsulfonylpentan-2-yl)benzene has a molecular weight of 240.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-methylsulfonylpentan-2-yl)benzene is sourced from PubChem (CID 134582598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).