(E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one

C15H18O3S — CID 13413828

IUPAC(E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one
SMILESO=C(/C=C/CCC1CC1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H18O3S/c16-14(7-5-4-6-13-10-11-13)12-19(17,18)15-8-2-1-3-9-15/h1-3,5,7-9,13H,4,6,10-12H2/b7-5+
InChIKeyCFVOEWJSSVNTQR-FNORWQNLSA-N
MW278.37 g/mol
LogP2.78
Rot. Bonds7

About (E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one

(E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one (PubChem CID 13413828) has the molecular formula C15H18O3S and a molecular weight of 278.37 g/mol. Its IUPAC name is (E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one.

Molecular Properties

Compound Name(E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one
PubChem CID13413828
Molecular FormulaC15H18O3S
Molecular Weight278.37 g/mol
Exact Mass278.10
IUPAC Name(E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one
SMILESO=C(/C=C/CCC1CC1)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H18O3S/c16-14(7-5-4-6-13-10-11-13)12-19(17,18)15-8-2-1-3-9-15/h1-3,5,7-9,13H,4,6,10-12H2/b7-5+
InChIKeyCFVOEWJSSVNTQR-FNORWQNLSA-N
XLogP2.78
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(benzenesulfonyl)hept-3-en-2-one
CID 13413825
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CID 14296318
1-(benzenesulfonyl)-4-(4-propan-2-ylphenyl)but-3-en-2-one
CID 141101641
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CID 91929914
(E)-1-(benzenesulfonyl)undec-4-en-3-one
CID 102247032
2-(benzenesulfonyl)-N-hydroxyacetamide
CID 91245592
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CID 17312294
1-(benzenesulfonyl)-3-chloropropan-2-one
CID 555621
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Frequently Asked Questions

What is the IUPAC name of (E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one?
The IUPAC name of (E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one (CID 13413828) is (E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one.
What is the SMILES notation for (E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one?
The canonical SMILES for (E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one is O=C(/C=C/CCC1CC1)CS(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one?
The InChIKey is CFVOEWJSSVNTQR-FNORWQNLSA-N. The full InChI is InChI=1S/C15H18O3S/c16-14(7-5-4-6-13-10-11-13)12-19(17,18)15-8-2-1-3-9-15/h1-3,5,7-9,13H,4,6,10-12H2/b7-5+.
What are the key properties of (E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one?
(E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one has a molecular weight of 278.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(benzenesulfonyl)-6-cyclopropylhex-3-en-2-one is sourced from PubChem (CID 13413828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).