(5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane

C15H22O4S — CID 15161471

IUPAC(5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane
SMILESCC1(C)O[C@H](CCS(=O)(=O)c2ccccc2)C(C)(C)O1
InChIInChI=1S/C15H22O4S/c1-14(2)13(18-15(3,4)19-14)10-11-20(16,17)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3/t13-/m1/s1
InChIKeyDYWJTRAHLYQFLG-CYBMUJFWSA-N
MW298.40 g/mol
LogP2.78
Rot. Bonds4

About (5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane

(5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane (PubChem CID 15161471) has the molecular formula C15H22O4S and a molecular weight of 298.40 g/mol. Its IUPAC name is (5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name(5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane
PubChem CID15161471
Molecular FormulaC15H22O4S
Molecular Weight298.40 g/mol
Exact Mass298.12
IUPAC Name(5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane
SMILESCC1(C)O[C@H](CCS(=O)(=O)c2ccccc2)C(C)(C)O1
InChIInChI=1S/C15H22O4S/c1-14(2)13(18-15(3,4)19-14)10-11-20(16,17)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3/t13-/m1/s1
InChIKeyDYWJTRAHLYQFLG-CYBMUJFWSA-N
XLogP2.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
8-(Benzenesulfinyl)-1,4-dioxaspiro[4.4]nonane
CID 13479852
2,2,4,7a-Tetramethyl-6-(phenylsulfonyl)-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxole
CID 85341584
1,3-Dioxolane, 2-[2-(phenylsulfonyl)ethyl]-
CID 11096791
2-[2-(4-Methylbenzene-1-sulfonyl)ethyl]-1,3-dioxolane
CID 12538998
[5,5,5-Trifluoro-4-(methoxymethoxy)-4-(trifluoromethyl)pentyl]sulfonylbenzene
CID 53878292
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-5-butan-2-yloxy-1,4-dioxane
CID 151626620
3,3,3-Triethoxypropylsulfonylbenzene
CID 2733117
(4S)-4-[(E)-3-(benzenesulfonyl)prop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 10902077

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane?
The IUPAC name of (5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane (CID 15161471) is (5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane.
What is the SMILES notation for (5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane?
The canonical SMILES for (5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane is CC1(C)O[C@H](CCS(=O)(=O)c2ccccc2)C(C)(C)O1.
What is the InChIKey of (5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane?
The InChIKey is DYWJTRAHLYQFLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22O4S/c1-14(2)13(18-15(3,4)19-14)10-11-20(16,17)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane?
(5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane has a molecular weight of 298.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(benzenesulfonyl)ethyl]-2,2,4,4-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 15161471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).