1-(6-ethylsulfonylcyclohexen-1-yl)ethanone

C10H16O3S — CID 148697819

IUPAC1-(6-ethylsulfonylcyclohexen-1-yl)ethanone
SMILESCCS(=O)(=O)C1CCCC=C1C(C)=O
InChIInChI=1S/C10H16O3S/c1-3-14(12,13)10-7-5-4-6-9(10)8(2)11/h6,10H,3-5,7H2,1-2H3
InChIKeyNUTRYRHTFCQTLB-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.49
Rot. Bonds3

About 1-(6-ethylsulfonylcyclohexen-1-yl)ethanone

1-(6-ethylsulfonylcyclohexen-1-yl)ethanone (PubChem CID 148697819) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is 1-(6-ethylsulfonylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethylsulfonylcyclohexen-1-yl)ethanone
PubChem CID148697819
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name1-(6-ethylsulfonylcyclohexen-1-yl)ethanone
SMILESCCS(=O)(=O)C1CCCC=C1C(C)=O
InChIInChI=1S/C10H16O3S/c1-3-14(12,13)10-7-5-4-6-9(10)8(2)11/h6,10H,3-5,7H2,1-2H3
InChIKeyNUTRYRHTFCQTLB-UHFFFAOYSA-N
XLogP1.49
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylsulfonylcyclohexen-1-yl)ethanone?
The IUPAC name of 1-(6-ethylsulfonylcyclohexen-1-yl)ethanone (CID 148697819) is 1-(6-ethylsulfonylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 1-(6-ethylsulfonylcyclohexen-1-yl)ethanone?
The canonical SMILES for 1-(6-ethylsulfonylcyclohexen-1-yl)ethanone is CCS(=O)(=O)C1CCCC=C1C(C)=O.
What is the InChIKey of 1-(6-ethylsulfonylcyclohexen-1-yl)ethanone?
The InChIKey is NUTRYRHTFCQTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c1-3-14(12,13)10-7-5-4-6-9(10)8(2)11/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 1-(6-ethylsulfonylcyclohexen-1-yl)ethanone?
1-(6-ethylsulfonylcyclohexen-1-yl)ethanone has a molecular weight of 216.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylsulfonylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 148697819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).