[(E)-but-2-enyl]sulfonylcyclopentane

C9H16O2S — CID 131234180

IUPAC[(E)-but-2-enyl]sulfonylcyclopentane
SMILESC/C=C/CS(=O)(=O)C1CCCC1
InChIInChI=1S/C9H16O2S/c1-2-3-8-12(10,11)9-6-4-5-7-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyAYKYGIHPIADILC-NSCUHMNNSA-N
MW188.29 g/mol
LogP1.92
Rot. Bonds3

About [(E)-but-2-enyl]sulfonylcyclopentane

[(E)-but-2-enyl]sulfonylcyclopentane (PubChem CID 131234180) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is [(E)-but-2-enyl]sulfonylcyclopentane.

Molecular Properties

Compound Name[(E)-but-2-enyl]sulfonylcyclopentane
PubChem CID131234180
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name[(E)-but-2-enyl]sulfonylcyclopentane
SMILESC/C=C/CS(=O)(=O)C1CCCC1
InChIInChI=1S/C9H16O2S/c1-2-3-8-12(10,11)9-6-4-5-7-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyAYKYGIHPIADILC-NSCUHMNNSA-N
XLogP1.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentylsulfonylacetaldehyde
CID 66222613
cyclohexylsulfonylmethanethiol
CID 117036891
1-cyclopentylsulfonyl-2-methylpropan-2-ol
CID 111435418
2-cyclopentylsulfonyl-N-methylethanamine
CID 64673517
2-but-2-enylsulfonyl-N-cyclohexylpropanamide
CID 72686246
5-cyclohexylsulfonylpentanoic acid
CID 60872104
N-(cyclohexylsulfonylmethyl)ethanamine
CID 117036374
ethylsulfonylcyclopropane
CID 12063392
2,2-dimethylpropylsulfonylcyclobutane
CID 167544021
6-cyclopentylsulfonylhexan-3-one
CID 106808577
potassium (E)-but-2-ene-1-sulfonate
CID 87169242
heptylsulfonylcyclooctane
CID 134525047

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl]sulfonylcyclopentane?
The IUPAC name of [(E)-but-2-enyl]sulfonylcyclopentane (CID 131234180) is [(E)-but-2-enyl]sulfonylcyclopentane.
What is the SMILES notation for [(E)-but-2-enyl]sulfonylcyclopentane?
The canonical SMILES for [(E)-but-2-enyl]sulfonylcyclopentane is C/C=C/CS(=O)(=O)C1CCCC1.
What is the InChIKey of [(E)-but-2-enyl]sulfonylcyclopentane?
The InChIKey is AYKYGIHPIADILC-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16O2S/c1-2-3-8-12(10,11)9-6-4-5-7-9/h2-3,9H,4-8H2,1H3/b3-2+.
What are the key properties of [(E)-but-2-enyl]sulfonylcyclopentane?
[(E)-but-2-enyl]sulfonylcyclopentane has a molecular weight of 188.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl]sulfonylcyclopentane is sourced from PubChem (CID 131234180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).