1-propan-2-ylsulfonylcyclohexene

C9H16O2S — CID 129118284

IUPAC1-propan-2-ylsulfonylcyclohexene
SMILESCC(C)S(=O)(=O)C1=CCCCC1
InChIInChI=1S/C9H16O2S/c1-8(2)12(10,11)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3
InChIKeyWPEFQRJZYVBVHB-UHFFFAOYSA-N
MW188.29 g/mol
LogP2.27
Rot. Bonds2

About 1-propan-2-ylsulfonylcyclohexene

1-propan-2-ylsulfonylcyclohexene (PubChem CID 129118284) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-propan-2-ylsulfonylcyclohexene.

Molecular Properties

Compound Name1-propan-2-ylsulfonylcyclohexene
PubChem CID129118284
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name1-propan-2-ylsulfonylcyclohexene
SMILESCC(C)S(=O)(=O)C1=CCCCC1
InChIInChI=1S/C9H16O2S/c1-8(2)12(10,11)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3
InChIKeyWPEFQRJZYVBVHB-UHFFFAOYSA-N
XLogP2.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonylcyclohexene?
The IUPAC name of 1-propan-2-ylsulfonylcyclohexene (CID 129118284) is 1-propan-2-ylsulfonylcyclohexene.
What is the SMILES notation for 1-propan-2-ylsulfonylcyclohexene?
The canonical SMILES for 1-propan-2-ylsulfonylcyclohexene is CC(C)S(=O)(=O)C1=CCCCC1.
What is the InChIKey of 1-propan-2-ylsulfonylcyclohexene?
The InChIKey is WPEFQRJZYVBVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-8(2)12(10,11)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfonylcyclohexene?
1-propan-2-ylsulfonylcyclohexene has a molecular weight of 188.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonylcyclohexene is sourced from PubChem (CID 129118284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).