(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane

C14H20O4S — CID 11832967

IUPAC(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESC[C@H](CS(=O)(=O)c1ccccc1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C14H20O4S/c1-11(13-9-17-14(2,3)18-13)10-19(15,16)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyGOCOTULXABWRIE-YPMHNXCESA-N
MW284.38 g/mol
LogP2.25
Rot. Bonds4

About (4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane

(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11832967) has the molecular formula C14H20O4S and a molecular weight of 284.38 g/mol. Its IUPAC name is (4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11832967
Molecular FormulaC14H20O4S
Molecular Weight284.38 g/mol
Exact Mass284.11
IUPAC Name(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane
SMILESC[C@H](CS(=O)(=O)c1ccccc1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C14H20O4S/c1-11(13-9-17-14(2,3)18-13)10-19(15,16)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t11-,13+/m1/s1
InChIKeyGOCOTULXABWRIE-YPMHNXCESA-N
XLogP2.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
2-[3-(Benzenesulfonyl)propyl]-1,3-dioxolane
CID 11118676
(+-)-endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-bicyclo[3.2.1]octan
CID 366363
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
5-(benzenesulfonyl)-6-methyl-3,3a,4,7a-tetrahydro-2H-furo[2,3-b]pyran
CID 72741045
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
(3R,4R,5R)-2-(benzenesulfonylmethyl)-5-(dimethoxymethyl)-3,4-dimethyloxolan-2-ol
CID 11824127
2-[2-(4-Methylbenzene-1-sulfonyl)ethyl]-1,3-dioxolane
CID 12538998

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane (CID 11832967) is (4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane is C[C@H](CS(=O)(=O)c1ccccc1)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is GOCOTULXABWRIE-YPMHNXCESA-N. The full InChI is InChI=1S/C14H20O4S/c1-11(13-9-17-14(2,3)18-13)10-19(15,16)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of (4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane?
(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 284.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11832967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).