1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol

C17H22O3S — CID 134982684

IUPAC1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol
SMILESO=S(=O)(c1ccccc1)C1(C2(O)CCCCC2)CC=CC1
InChIInChI=1S/C17H22O3S/c18-16(11-5-2-6-12-16)17(13-7-8-14-17)21(19,20)15-9-3-1-4-10-15/h1,3-4,7-10,18H,2,5-6,11-14H2
InChIKeyGSPCHCKVEDCTCH-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.24
Rot. Bonds3

About 1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol

1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol (PubChem CID 134982684) has the molecular formula C17H22O3S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol
PubChem CID134982684
Molecular FormulaC17H22O3S
Molecular Weight306.43 g/mol
Exact Mass306.13
IUPAC Name1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol
SMILESO=S(=O)(c1ccccc1)C1(C2(O)CCCCC2)CC=CC1
InChIInChI=1S/C17H22O3S/c18-16(11-5-2-6-12-16)17(13-7-8-14-17)21(19,20)15-9-3-1-4-10-15/h1,3-4,7-10,18H,2,5-6,11-14H2
InChIKeyGSPCHCKVEDCTCH-UHFFFAOYSA-N
XLogP3.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Phenylthio)methyl]cyclohexanol
CID 329393
1-((Phenylsulfinyl)methyl)cyclohexanol
CID 380799
2-Allyl-2-methyl-1-((phenylsulfinyl)methyl)cyclohexanol
CID 363790
(1R)-2-(benzenesulfonyl)-1-cyclohexylethanol
CID 12958388
(3R,4S)-2-(benzenesulfonyl)-3-methylnon-1-en-4-ol
CID 14891593
(4R,5S)-4-[1-(benzenesulfonyl)ethenyl]decan-5-ol
CID 14891604
(4R,5R)-4-[1-(benzenesulfonyl)ethenyl]decan-5-ol
CID 14891605
(1S,2R)-3-(benzenesulfonyl)-1-cyclohexyl-2-methylbut-3-en-1-ol
CID 134931126
(E)-4-(benzenesulfonyl)-3,9-dimethyl-1,11-diphenylundec-8-en-3-ol
CID 134981790
1-[Benzenesulfonyl(difluoro)methyl]cyclooctan-1-ol
CID 11220863
1-[Benzenesulfonyl(difluoro)methyl]-4-tert-butylcyclohexan-1-ol
CID 11359958
7-[Benzenesulfonyl(difluoro)methyl]tridecan-7-ol
CID 11474785

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol (CID 134982684) is 1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol is O=S(=O)(c1ccccc1)C1(C2(O)CCCCC2)CC=CC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol?
The InChIKey is GSPCHCKVEDCTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3S/c18-16(11-5-2-6-12-16)17(13-7-8-14-17)21(19,20)15-9-3-1-4-10-15/h1,3-4,7-10,18H,2,5-6,11-14H2.
What are the key properties of 1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol?
1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol has a molecular weight of 306.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)cyclopent-3-en-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 134982684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).