(2S)-2-[2-(benzenesulfonyl)ethyl]oxolane

C12H16O3S — CID 98615300

IUPAC(2S)-2-[2-(benzenesulfonyl)ethyl]oxolane
SMILESO=S(=O)(CC[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C12H16O3S/c13-16(14,12-6-2-1-3-7-12)10-8-11-5-4-9-15-11/h1-3,6-7,11H,4-5,8-10H2/t11-/m0/s1
InChIKeyQOCUDWUVRHKNAK-NSHDSACASA-N
MW240.32 g/mol
LogP2.03
Rot. Bonds4

About (2S)-2-[2-(benzenesulfonyl)ethyl]oxolane

(2S)-2-[2-(benzenesulfonyl)ethyl]oxolane (PubChem CID 98615300) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is (2S)-2-[2-(benzenesulfonyl)ethyl]oxolane.

Molecular Properties

Compound Name(2S)-2-[2-(benzenesulfonyl)ethyl]oxolane
PubChem CID98615300
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name(2S)-2-[2-(benzenesulfonyl)ethyl]oxolane
SMILESO=S(=O)(CC[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C12H16O3S/c13-16(14,12-6-2-1-3-7-12)10-8-11-5-4-9-15-11/h1-3,6-7,11H,4-5,8-10H2/t11-/m0/s1
InChIKeyQOCUDWUVRHKNAK-NSHDSACASA-N
XLogP2.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-(Phenylsulfonyl)ethyl)oxirane
CID 11356304
2-[(Phenylsulfonyl)methyl]oxirane
CID 11356071
2-Ethoxyethylsulfonylbenzene
CID 44377531
2-(Phenylthio)tetrahydrofuran
CID 361776
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
2-(Benzenesulfonyl)-3-propyloxirane
CID 14532897
2-Octoxyethylsulfonylbenzene
CID 44377556
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,4-dioxane
CID 14593287
1-(Benzenesulfonyl)propan-2-ol
CID 547258
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
2-[2-(Benzenesulfonyl)-1,1-difluoropropyl]-1,4-dioxane
CID 10542679
3-[2-(Benzenesulfonyl)-2-fluoroethyl]oxolane
CID 134921093

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(benzenesulfonyl)ethyl]oxolane?
The IUPAC name of (2S)-2-[2-(benzenesulfonyl)ethyl]oxolane (CID 98615300) is (2S)-2-[2-(benzenesulfonyl)ethyl]oxolane.
What is the SMILES notation for (2S)-2-[2-(benzenesulfonyl)ethyl]oxolane?
The canonical SMILES for (2S)-2-[2-(benzenesulfonyl)ethyl]oxolane is O=S(=O)(CC[C@@H]1CCCO1)c1ccccc1.
What is the InChIKey of (2S)-2-[2-(benzenesulfonyl)ethyl]oxolane?
The InChIKey is QOCUDWUVRHKNAK-NSHDSACASA-N. The full InChI is InChI=1S/C12H16O3S/c13-16(14,12-6-2-1-3-7-12)10-8-11-5-4-9-15-11/h1-3,6-7,11H,4-5,8-10H2/t11-/m0/s1.
What are the key properties of (2S)-2-[2-(benzenesulfonyl)ethyl]oxolane?
(2S)-2-[2-(benzenesulfonyl)ethyl]oxolane has a molecular weight of 240.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(benzenesulfonyl)ethyl]oxolane is sourced from PubChem (CID 98615300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).