[(1S)-1-tert-butylsulfonylpentyl]benzene

C15H24O2S — CID 91798440

IUPAC[(1S)-1-tert-butylsulfonylpentyl]benzene
SMILESCCCC[C@@H](c1ccccc1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H24O2S/c1-5-6-12-14(13-10-8-7-9-11-13)18(16,17)15(2,3)4/h7-11,14H,5-6,12H2,1-4H3/t14-/m0/s1
InChIKeyQSIWYGQIPCVDQR-AWEZNQCLSA-N
MW268.42 g/mol
LogP4.13
Rot. Bonds5

About [(1S)-1-tert-butylsulfonylpentyl]benzene

[(1S)-1-tert-butylsulfonylpentyl]benzene (PubChem CID 91798440) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is [(1S)-1-tert-butylsulfonylpentyl]benzene.

Molecular Properties

Compound Name[(1S)-1-tert-butylsulfonylpentyl]benzene
PubChem CID91798440
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name[(1S)-1-tert-butylsulfonylpentyl]benzene
SMILESCCCC[C@@H](c1ccccc1)S(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H24O2S/c1-5-6-12-14(13-10-8-7-9-11-13)18(16,17)15(2,3)4/h7-11,14H,5-6,12H2,1-4H3/t14-/m0/s1
InChIKeyQSIWYGQIPCVDQR-AWEZNQCLSA-N
XLogP4.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-tert-butylsulfonylpentyl]benzene?
The IUPAC name of [(1S)-1-tert-butylsulfonylpentyl]benzene (CID 91798440) is [(1S)-1-tert-butylsulfonylpentyl]benzene.
What is the SMILES notation for [(1S)-1-tert-butylsulfonylpentyl]benzene?
The canonical SMILES for [(1S)-1-tert-butylsulfonylpentyl]benzene is CCCC[C@@H](c1ccccc1)S(=O)(=O)C(C)(C)C.
What is the InChIKey of [(1S)-1-tert-butylsulfonylpentyl]benzene?
The InChIKey is QSIWYGQIPCVDQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24O2S/c1-5-6-12-14(13-10-8-7-9-11-13)18(16,17)15(2,3)4/h7-11,14H,5-6,12H2,1-4H3/t14-/m0/s1.
What are the key properties of [(1S)-1-tert-butylsulfonylpentyl]benzene?
[(1S)-1-tert-butylsulfonylpentyl]benzene has a molecular weight of 268.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-tert-butylsulfonylpentyl]benzene is sourced from PubChem (CID 91798440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).