2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane

C18H26O4S2 — CID 162407445

IUPAC2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane
SMILESO=S(=O)(c1ccccc1)C(CC1COCCO1)SC1CCCCC1
InChIInChI=1S/C18H26O4S2/c19-24(20,17-9-5-2-6-10-17)18(13-15-14-21-11-12-22-15)23-16-7-3-1-4-8-16/h2,5-6,9-10,15-16,18H,1,3-4,7-8,11-14H2
InChIKeyOTJYTXQZTCUUEP-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.66
Rot. Bonds6

About 2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane

2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane (PubChem CID 162407445) has the molecular formula C18H26O4S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane
PubChem CID162407445
Molecular FormulaC18H26O4S2
Molecular Weight370.54 g/mol
Exact Mass370.13
IUPAC Name2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane
SMILESO=S(=O)(c1ccccc1)C(CC1COCCO1)SC1CCCCC1
InChIInChI=1S/C18H26O4S2/c19-24(20,17-9-5-2-6-10-17)18(13-15-14-21-11-12-22-15)23-16-7-3-1-4-8-16/h2,5-6,9-10,15-16,18H,1,3-4,7-8,11-14H2
InChIKeyOTJYTXQZTCUUEP-UHFFFAOYSA-N
XLogP3.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,4-dioxane
CID 14593287
2-[2-(Benzenesulfonyl)-1,1-difluoropropyl]-1,4-dioxane
CID 10542679
2-[2-(Benzenesulfonyl)-1,1-difluoropentyl]-1,4-dioxane
CID 10688148
2-[2,2-Di(benzenesulfonyl)ethyl]oxirane
CID 13776904
(4-Ethoxycyclohexen-1-yl)sulfonylbenzene
CID 13897760
6-[3-(benzenesulfonyl)propyl]-3,4-dihydro-2H-pyran
CID 14660265
2,2-Dimethyl-3-[2,2-bis(phenylsulfonyl)ethyl]oxirane
CID 14911920
5-(benzenesulfonyl)-6-methyl-2-phenylsulfanyl-3,4-dihydro-2H-pyran
CID 14913022
2-(Benzenesulfonyl)oxane
CID 3707989
2-(Benzenesulfonyl)heptan-3-yl methanesulfonate
CID 88843487
3,5-Bis(phenylsulfonyl)-3,6-dihydro-2H-pyran
CID 361139
[(3S,4S,5R,6S)-4,5-diacetyloxy-6-[4-(4-fluorophenyl)sulfonylphenyl]sulfanylthian-3-yl] acetate
CID 88425861

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane?
The IUPAC name of 2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane (CID 162407445) is 2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane.
What is the SMILES notation for 2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane?
The canonical SMILES for 2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane is O=S(=O)(c1ccccc1)C(CC1COCCO1)SC1CCCCC1.
What is the InChIKey of 2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane?
The InChIKey is OTJYTXQZTCUUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4S2/c19-24(20,17-9-5-2-6-10-17)18(13-15-14-21-11-12-22-15)23-16-7-3-1-4-8-16/h2,5-6,9-10,15-16,18H,1,3-4,7-8,11-14H2.
What are the key properties of 2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane?
2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane has a molecular weight of 370.54 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)-2-cyclohexylsulfanylethyl]-1,4-dioxane is sourced from PubChem (CID 162407445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).