1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene

C15H24O3S — CID 15032748

IUPAC1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene
SMILESCCCCC(OC(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24O3S/c1-5-6-12-14(18-15(2,3)4)19(16,17)13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3
InChIKeyIDAPTWKKBRPERI-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.79
Rot. Bonds6

About 1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene

1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene (PubChem CID 15032748) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene
PubChem CID15032748
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene
SMILESCCCCC(OC(C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24O3S/c1-5-6-12-14(18-15(2,3)4)19(16,17)13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3
InChIKeyIDAPTWKKBRPERI-UHFFFAOYSA-N
XLogP3.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl (phenylsulphonyl)acetate
CID 82078
Methoxymethyl Phenyl Sulfone
CID 366072
Sulfone, 2-acetoxypropyl phenyl
CID 538760
2-(Phenylsulfonyl)ethanol
CID 30202
3-Methyl-3-((phenylsulfinyl)methyl)oxetane
CID 129038017
Phenylsulfonylacetone
CID 735827
2-(Benzenesulfonyl)ethyl acetate
CID 44377376
2-(2-(Phenylsulfonyl)ethyl)oxirane
CID 11356304
2-[(Phenylsulfonyl)methyl]oxirane
CID 11356071
2-Ethoxyethylsulfonylbenzene
CID 44377531
Sulfone, hexyl phenyl
CID 555118
(Pentylsulfonyl)-benzene
CID 11063755

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene (CID 15032748) is 1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene is CCCCC(OC(C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene?
The InChIKey is IDAPTWKKBRPERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c1-5-6-12-14(18-15(2,3)4)19(16,17)13-10-8-7-9-11-13/h7-11,14H,5-6,12H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene?
1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene has a molecular weight of 284.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]pentylsulfonylbenzene is sourced from PubChem (CID 15032748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).