(4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane

C16H24O4S — CID 10567116

IUPAC(4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane
SMILESCC1(C)C[C@@](C)(CS(=O)(=O)c2ccccc2)OC(C)(C)O1
InChIInChI=1S/C16H24O4S/c1-14(2)11-16(5,20-15(3,4)19-14)12-21(17,18)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3/t16-/m0/s1
InChIKeyGYSFZNQEJLPXMM-INIZCTEOSA-N
MW312.43 g/mol
LogP3.17
Rot. Bonds3

About (4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane

(4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane (PubChem CID 10567116) has the molecular formula C16H24O4S and a molecular weight of 312.43 g/mol. Its IUPAC name is (4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane.

Molecular Properties

Compound Name(4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane
PubChem CID10567116
Molecular FormulaC16H24O4S
Molecular Weight312.43 g/mol
Exact Mass312.14
IUPAC Name(4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane
SMILESCC1(C)C[C@@](C)(CS(=O)(=O)c2ccccc2)OC(C)(C)O1
InChIInChI=1S/C16H24O4S/c1-14(2)11-16(5,20-15(3,4)19-14)12-21(17,18)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3/t16-/m0/s1
InChIKeyGYSFZNQEJLPXMM-INIZCTEOSA-N
XLogP3.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
6-(Benzenesulfonylmethyl)-6-methyl-3,3-dipentyl-1,2,4-trioxane
CID 71597311
[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
2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-
CID 11045209
2-[(3S)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane
CID 13964866
(5S,6S)-2,2,4,4,6-pentamethyl-5-[(4-methylphenyl)sulfonylmethyl]-1,3-dioxane
CID 9973667
[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene
CID 10425254
(2S)-1-(benzenesulfonyl)-2,4-dimethylpentane-2,4-diol
CID 10730903
(2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran
CID 11109689
(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 11832967

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane?
The IUPAC name of (4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane (CID 10567116) is (4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane.
What is the SMILES notation for (4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane?
The canonical SMILES for (4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane is CC1(C)C[C@@](C)(CS(=O)(=O)c2ccccc2)OC(C)(C)O1.
What is the InChIKey of (4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane?
The InChIKey is GYSFZNQEJLPXMM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24O4S/c1-14(2)11-16(5,20-15(3,4)19-14)12-21(17,18)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3/t16-/m0/s1.
What are the key properties of (4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane?
(4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane has a molecular weight of 312.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane is sourced from PubChem (CID 10567116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).