ethylsulfonylmethylcyclohexane

C9H18O2S — CID 21031029

IUPACethylsulfonylmethylcyclohexane
SMILESCCS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C9H18O2S/c1-2-12(10,11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyJTXNTPDAMKYHNQ-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.00
Rot. Bonds3

About ethylsulfonylmethylcyclohexane

ethylsulfonylmethylcyclohexane (PubChem CID 21031029) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is ethylsulfonylmethylcyclohexane.

Molecular Properties

Compound Nameethylsulfonylmethylcyclohexane
PubChem CID21031029
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Nameethylsulfonylmethylcyclohexane
SMILESCCS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C9H18O2S/c1-2-12(10,11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyJTXNTPDAMKYHNQ-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethylsulfonylmethylcyclohexane?
The IUPAC name of ethylsulfonylmethylcyclohexane (CID 21031029) is ethylsulfonylmethylcyclohexane.
What is the SMILES notation for ethylsulfonylmethylcyclohexane?
The canonical SMILES for ethylsulfonylmethylcyclohexane is CCS(=O)(=O)CC1CCCCC1.
What is the InChIKey of ethylsulfonylmethylcyclohexane?
The InChIKey is JTXNTPDAMKYHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S/c1-2-12(10,11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of ethylsulfonylmethylcyclohexane?
ethylsulfonylmethylcyclohexane has a molecular weight of 190.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfonylmethylcyclohexane is sourced from PubChem (CID 21031029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).