1,1-bis(ethylsulfonyl)-3-methylcyclohexane

C11H22O4S2 — CID 121220475

IUPAC1,1-bis(ethylsulfonyl)-3-methylcyclohexane
SMILESCCS(=O)(=O)C1(S(=O)(=O)CC)CCCC(C)C1
InChIInChI=1S/C11H22O4S2/c1-4-16(12,13)11(17(14,15)5-2)8-6-7-10(3)9-11/h10H,4-9H2,1-3H3
InChIKeyIYWPZDIDHWOOAV-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.76
Rot. Bonds4

About 1,1-bis(ethylsulfonyl)-3-methylcyclohexane

1,1-bis(ethylsulfonyl)-3-methylcyclohexane (PubChem CID 121220475) has the molecular formula C11H22O4S2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1,1-bis(ethylsulfonyl)-3-methylcyclohexane.

Molecular Properties

Compound Name1,1-bis(ethylsulfonyl)-3-methylcyclohexane
PubChem CID121220475
Molecular FormulaC11H22O4S2
Molecular Weight282.43 g/mol
Exact Mass282.10
IUPAC Name1,1-bis(ethylsulfonyl)-3-methylcyclohexane
SMILESCCS(=O)(=O)C1(S(=O)(=O)CC)CCCC(C)C1
InChIInChI=1S/C11H22O4S2/c1-4-16(12,13)11(17(14,15)5-2)8-6-7-10(3)9-11/h10H,4-9H2,1-3H3
InChIKeyIYWPZDIDHWOOAV-UHFFFAOYSA-N
XLogP1.76
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethyl-3-methylcyclohexane
CID 19090157
(3S)-1-ethyl-1,3-dimethylcyclohexane
CID 145106781
1-ethylsulfonylbicyclo[2.2.2]octan-2-ol
CID 130431716
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
3-methyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62594696
1-[(ethylsulfamoylamino)methyl]-3-methylcyclohexan-1-ol
CID 115754155
N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 64552221
N-[1-(bromomethyl)-3-methylcyclohexyl]cyclopropanesulfonamide
CID 114293912
ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane
CID 145106735
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide
CID 62007623
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
cobalt;1,1,3-trimethylcyclohexane
CID 70372264

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(ethylsulfonyl)-3-methylcyclohexane?
The IUPAC name of 1,1-bis(ethylsulfonyl)-3-methylcyclohexane (CID 121220475) is 1,1-bis(ethylsulfonyl)-3-methylcyclohexane.
What is the SMILES notation for 1,1-bis(ethylsulfonyl)-3-methylcyclohexane?
The canonical SMILES for 1,1-bis(ethylsulfonyl)-3-methylcyclohexane is CCS(=O)(=O)C1(S(=O)(=O)CC)CCCC(C)C1.
What is the InChIKey of 1,1-bis(ethylsulfonyl)-3-methylcyclohexane?
The InChIKey is IYWPZDIDHWOOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4S2/c1-4-16(12,13)11(17(14,15)5-2)8-6-7-10(3)9-11/h10H,4-9H2,1-3H3.
What are the key properties of 1,1-bis(ethylsulfonyl)-3-methylcyclohexane?
1,1-bis(ethylsulfonyl)-3-methylcyclohexane has a molecular weight of 282.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(ethylsulfonyl)-3-methylcyclohexane is sourced from PubChem (CID 121220475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).