(4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide

C15H26O4S — CID 134886146

IUPAC(4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide
SMILESO=S1(=O)O[C@H](C2CCCCC2)C[C@@H](C2CCCCC2)O1
InChIInChI=1S/C15H26O4S/c16-20(17)18-14(12-7-3-1-4-8-12)11-15(19-20)13-9-5-2-6-10-13/h12-15H,1-11H2/t14-,15-/m0/s1
InChIKeyAGWYKYMEWBUBKU-GJZGRUSLSA-N
MW302.44 g/mol
LogP3.57
Rot. Bonds2

About (4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide

(4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide (PubChem CID 134886146) has the molecular formula C15H26O4S and a molecular weight of 302.44 g/mol. Its IUPAC name is (4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide.

Molecular Properties

Compound Name(4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide
PubChem CID134886146
Molecular FormulaC15H26O4S
Molecular Weight302.44 g/mol
Exact Mass302.16
IUPAC Name(4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide
SMILESO=S1(=O)O[C@H](C2CCCCC2)C[C@@H](C2CCCCC2)O1
InChIInChI=1S/C15H26O4S/c16-20(17)18-14(12-7-3-1-4-8-12)11-15(19-20)13-9-5-2-6-10-13/h12-15H,1-11H2/t14-,15-/m0/s1
InChIKeyAGWYKYMEWBUBKU-GJZGRUSLSA-N
XLogP3.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide
CID 11275189
bicyclo[11.1.0]tetradecane
CID 90981498
bicyclo[21.1.0]tetracosane
CID 123789596
cyclohexylcycloheptane
CID 524589
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclononylcycloicosane
CID 123187062
9-cyclononyloxazonane
CID 71145462
(3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol
CID 10899265
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
azane;cyclohexylcyclohexane
CID 66583255
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide?
The IUPAC name of (4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide (CID 134886146) is (4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide.
What is the SMILES notation for (4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide?
The canonical SMILES for (4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide is O=S1(=O)O[C@H](C2CCCCC2)C[C@@H](C2CCCCC2)O1.
What is the InChIKey of (4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide?
The InChIKey is AGWYKYMEWBUBKU-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H26O4S/c16-20(17)18-14(12-7-3-1-4-8-12)11-15(19-20)13-9-5-2-6-10-13/h12-15H,1-11H2/t14-,15-/m0/s1.
What are the key properties of (4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide?
(4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide has a molecular weight of 302.44 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide is sourced from PubChem (CID 134886146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).