2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane

C20H24O6S2 — CID 135019088

IUPAC2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane
SMILESC[C@H](CC1OCCCO1)C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24O6S2/c1-16(15-19-25-13-8-14-26-19)20(27(21,22)17-9-4-2-5-10-17)28(23,24)18-11-6-3-7-12-18/h2-7,9-12,16,19-20H,8,13-15H2,1H3/t16-/m1/s1
InChIKeyUJPKOULJPHXEPT-MRXNPFEDSA-N
MW424.54 g/mol
LogP3.05
Rot. Bonds7

About 2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane

2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane (PubChem CID 135019088) has the molecular formula C20H24O6S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane.

Molecular Properties

Compound Name2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane
PubChem CID135019088
Molecular FormulaC20H24O6S2
Molecular Weight424.54 g/mol
Exact Mass424.10
IUPAC Name2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane
SMILESC[C@H](CC1OCCCO1)C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H24O6S2/c1-16(15-19-25-13-8-14-26-19)20(27(21,22)17-9-4-2-5-10-17)28(23,24)18-11-6-3-7-12-18/h2-7,9-12,16,19-20H,8,13-15H2,1H3/t16-/m1/s1
InChIKeyUJPKOULJPHXEPT-MRXNPFEDSA-N
XLogP3.05
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-3,3-bis(benzenesulfonyl)-3-fluoro-2-methylpropyl]-1,3-dioxane
CID 135019089
2-((5,5-Bis(phenylthio)pentyl)oxy)tetrahydro-2H-pyran
CID 361790
2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-
CID 11045209
2-[(3S)-4-(benzenesulfonyl)-2,3-dimethylbutan-2-yl]oxyoxolane
CID 13964866
(4S)-4-(benzenesulfonylmethyl)-2,2,4,6,6-pentamethyl-1,3-dioxane
CID 10567116
(2R,4R)-6-(benzenesulfonylmethyl)-4-methyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran
CID 11109689
(E)-8,8-bis(benzenesulfonyl)-1,1-diethoxyoct-5-en-3-ol
CID 11730760
2-(Benzenesulfonylmethyl)-1,3-dioxane
CID 12037594
1-(1-Ethoxyethoxy)ethylsulfonylbenzene
CID 12656509
2-[5-(4-Methylphenyl)sulfonyl-5-methylsulfanylpentoxy]oxane
CID 13433561
2-[2-(Benzenesulfonyl)ethyl]-1,3-dioxane
CID 66474369
(Z)-8,8-bis(benzenesulfonyl)-1,1-diethoxyoct-5-en-3-ol
CID 101929828

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane?
The IUPAC name of 2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane (CID 135019088) is 2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane.
What is the SMILES notation for 2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane?
The canonical SMILES for 2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane is C[C@H](CC1OCCCO1)C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane?
The InChIKey is UJPKOULJPHXEPT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24O6S2/c1-16(15-19-25-13-8-14-26-19)20(27(21,22)17-9-4-2-5-10-17)28(23,24)18-11-6-3-7-12-18/h2-7,9-12,16,19-20H,8,13-15H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane?
2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane has a molecular weight of 424.54 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3,3-bis(benzenesulfonyl)-2-methylpropyl]-1,3-dioxane is sourced from PubChem (CID 135019088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).