[(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene

C14H18O3S — CID 134999007

IUPAC[(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene
SMILESCCO/C=C1/CCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18O3S/c1-2-17-11-12-7-6-10-14(12)18(15,16)13-8-4-3-5-9-13/h3-5,8-9,11,14H,2,6-7,10H2,1H3/b12-11-
InChIKeyUXYUVAITBNPMHT-QXMHVHEDSA-N
MW266.36 g/mol
LogP2.93
Rot. Bonds4

About [(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene

[(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene (PubChem CID 134999007) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is [(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene.

Molecular Properties

Compound Name[(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene
PubChem CID134999007
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name[(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene
SMILESCCO/C=C1/CCCC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H18O3S/c1-2-17-11-12-7-6-10-14(12)18(15,16)13-8-4-3-5-9-13/h3-5,8-9,11,14H,2,6-7,10H2,1H3/b12-11-
InChIKeyUXYUVAITBNPMHT-QXMHVHEDSA-N
XLogP2.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(benzenesulfonyl)-2-methylcyclohexene-1-carboxylate
CID 11323866
(4-methylcyclohexyl)sulfonylbenzene
CID 10537916
(2E)-3-(benzenesulfonyl)-8-ethyl-2-hexylideneoxocane
CID 24824287
[(E)-2-ethoxyethenyl]sulfonylbenzene
CID 13177777
[(1R,2R)-2-methylcyclohexyl]sulfonylbenzene
CID 102011157
(2-methylcyclopentyl)sulfonylbenzene
CID 14669547
3-(benzenesulfonyl)-N-propylcyclopentan-1-amine
CID 64722832
(1S)-1-[(1R,2Z)-2-[(N-methyl-S-phenylsulfonimidoyl)methylidene]cyclohexyl]propan-1-ol
CID 10852270
4-(benzenesulfonyl)-6-methyloxan-3-one
CID 101176017
trans-(2R,3S)-2-(benzenesulfonyl)-3-ethylcyclopentan-1-one
CID 11128783
3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
CID 64722834
9-(benzenesulfonyl)-6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile
CID 11131503

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene?
The IUPAC name of [(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene (CID 134999007) is [(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene.
What is the SMILES notation for [(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene?
The canonical SMILES for [(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene is CCO/C=C1/CCCC1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene?
The InChIKey is UXYUVAITBNPMHT-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H18O3S/c1-2-17-11-12-7-6-10-14(12)18(15,16)13-8-4-3-5-9-13/h3-5,8-9,11,14H,2,6-7,10H2,1H3/b12-11-.
What are the key properties of [(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene?
[(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene has a molecular weight of 266.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-(ethoxymethylidene)cyclopentyl]sulfonylbenzene is sourced from PubChem (CID 134999007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).