(2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane

C15H20O3S — CID 11822031

IUPAC(2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane
SMILESC=C[C@H](C)[C@@H]1OC(S(=O)(=O)c2ccccc2)C[C@@H]1C
InChIInChI=1S/C15H20O3S/c1-4-11(2)15-12(3)10-14(18-15)19(16,17)13-8-6-5-7-9-13/h4-9,11-12,14-15H,1,10H2,2-3H3/t11-,12-,14?,15-/m0/s1
InChIKeyVKOPLNCIYHBMLG-AHWDPPSRSA-N
MW280.39 g/mol
LogP3.03
Rot. Bonds4

About (2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane

(2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane (PubChem CID 11822031) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane.

Molecular Properties

Compound Name(2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane
PubChem CID11822031
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name(2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane
SMILESC=C[C@H](C)[C@@H]1OC(S(=O)(=O)c2ccccc2)C[C@@H]1C
InChIInChI=1S/C15H20O3S/c1-4-11(2)15-12(3)10-14(18-15)19(16,17)13-8-6-5-7-9-13/h4-9,11-12,14-15H,1,10H2,2-3H3/t11-,12-,14?,15-/m0/s1
InChIKeyVKOPLNCIYHBMLG-AHWDPPSRSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Sulfonium, dimethyl((tetrahydro-2-furanyl)methyl)-, 4-methylbenzenesulfonate (1:1)
CID 3062268
Sulfonium, butylmethyl((tetrahydro-2-furanyl)methyl)-, salt with 4-methylbenzenesulfonic acid (1:1)
CID 3062270
Dimethyl-2-(tetrahydro-2-furanyl)ethylsulfonium
CID 24846345
1-Methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
CID 71981822
3-[2-(Benzenesulfonyl)-2-fluoroethyl]oxolane
CID 134921093
3-(2,2-Difluoro-2-(phenylsulfonyl)ethyl)-4-methyltetrahydrofuran
CID 163297774
(4-Ethoxycyclohexen-1-yl)sulfonylbenzene
CID 13897760
(2R,3S)-6-(benzenesulfonyl)-2,3-dimethyloxane
CID 14446823
Furan, tetrahydro-2-(phenylsulfonyl)-
CID 10998330
2,2-Dimethyl-5-(phenylthio)tetrahydrofuran
CID 361780
2-[(4-Fluorophenyl)sulfonylmethyl]oxolane
CID 60454201
(3R)-1-(benzenesulfonyl)-1-fluoro-3-methylheptan-2-ol
CID 122598735

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane?
The IUPAC name of (2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane (CID 11822031) is (2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane.
What is the SMILES notation for (2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane?
The canonical SMILES for (2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane is C=C[C@H](C)[C@@H]1OC(S(=O)(=O)c2ccccc2)C[C@@H]1C.
What is the InChIKey of (2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane?
The InChIKey is VKOPLNCIYHBMLG-AHWDPPSRSA-N. The full InChI is InChI=1S/C15H20O3S/c1-4-11(2)15-12(3)10-14(18-15)19(16,17)13-8-6-5-7-9-13/h4-9,11-12,14-15H,1,10H2,2-3H3/t11-,12-,14?,15-/m0/s1.
What are the key properties of (2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane?
(2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane has a molecular weight of 280.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-(benzenesulfonyl)-2-[(2S)-but-3-en-2-yl]-3-methyloxolane is sourced from PubChem (CID 11822031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).