(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane

C13H18O3S — CID 11086314

IUPAC(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane
SMILESC[C@@H](CCS(=O)(=O)c1ccccc1)C[C@@H]1CO1
InChIInChI=1S/C13H18O3S/c1-11(9-12-10-16-12)7-8-17(14,15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3/t11-,12+/m0/s1
InChIKeyUUVOPRJOFCPSPV-NWDGAFQWSA-N
MW254.35 g/mol
LogP2.28
Rot. Bonds6

About (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane

(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane (PubChem CID 11086314) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane
PubChem CID11086314
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane
SMILESC[C@@H](CCS(=O)(=O)c1ccccc1)C[C@@H]1CO1
InChIInChI=1S/C13H18O3S/c1-11(9-12-10-16-12)7-8-17(14,15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3/t11-,12+/m0/s1
InChIKeyUUVOPRJOFCPSPV-NWDGAFQWSA-N
XLogP2.28
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-methylhex-5-enyl]sulfonylbenzene
CID 141118186
(2S,4R)-2-(benzenesulfonylmethyl)-4-propan-2-yloxolane
CID 102328371
4-(benzenesulfonylmethyl)-2-tert-butyl-1,3-dioxolane
CID 162457023
[(9S)-9-methyltridecyl]sulfonylbenzene
CID 11110546
[(4S)-4-methyloctadecyl]sulfonylbenzene
CID 10645166
2-(2-methylbutyl)oxirane
CID 534610
[(2R)-oxiran-2-yl]methyl benzenesulfonate
CID 14419639
2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane
CID 12842280
4-(benzenesulfonyl)-3-methylbutan-1-ol
CID 13358237
4-(benzenesulfonyl)-3-methylbutan-1-amine
CID 115036309
tert-butyl (5R)-5-[(2S)-3-(benzenesulfonyl)-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10834634
[(2S)-4-(benzenesulfonyl)butan-2-yl] 4-methylbenzenesulfonate
CID 10690392

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane?
The IUPAC name of (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane (CID 11086314) is (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane.
What is the SMILES notation for (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane?
The canonical SMILES for (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane is C[C@@H](CCS(=O)(=O)c1ccccc1)C[C@@H]1CO1.
What is the InChIKey of (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane?
The InChIKey is UUVOPRJOFCPSPV-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H18O3S/c1-11(9-12-10-16-12)7-8-17(14,15)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3/t11-,12+/m0/s1.
What are the key properties of (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane?
(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane has a molecular weight of 254.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane is sourced from PubChem (CID 11086314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).