(1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol

C16H22O3S — CID 134979319

IUPAC(1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol
SMILESC=C[C@@]1(S(=O)(=O)c2ccccc2)CCC[C@H]1[C@@H](O)CC
InChIInChI=1S/C16H22O3S/c1-3-15(17)14-11-8-12-16(14,4-2)20(18,19)13-9-6-5-7-10-13/h4-7,9-10,14-15,17H,2-3,8,11-12H2,1H3/t14-,15-,16+/m0/s1
InChIKeySNIHDFGBOQXDML-HRCADAONSA-N
MW294.42 g/mol
LogP2.96
Rot. Bonds5

About (1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol

(1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol (PubChem CID 134979319) has the molecular formula C16H22O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is (1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol
PubChem CID134979319
Molecular FormulaC16H22O3S
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name(1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol
SMILESC=C[C@@]1(S(=O)(=O)c2ccccc2)CCC[C@H]1[C@@H](O)CC
InChIInChI=1S/C16H22O3S/c1-3-15(17)14-11-8-12-16(14,4-2)20(18,19)13-9-6-5-7-10-13/h4-7,9-10,14-15,17H,2-3,8,11-12H2,1H3/t14-,15-,16+/m0/s1
InChIKeySNIHDFGBOQXDML-HRCADAONSA-N
XLogP2.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.96
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

3-(2,2-Difluoro-2-(phenylsulfonyl)ethyl)-4-methylcyclopentan-1-ol
CID 163297745
2,2-Dimethyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
CID 10912935
1-(1-Phenylsulfanylcyclopentyl)propane-1,3-diol
CID 10956055
(1R)-2-(benzenesulfonyl)-1-cyclohexylethanol
CID 12958388
(1S,2R)-2-methyl-1-(1-phenylsulfanylcyclopentyl)propane-1,3-diol
CID 14120595
(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
(1S,2R)-3-(benzenesulfonyl)-2-methylcyclohept-3-en-1-ol
CID 121278389
4-(1-Methyl-4-(phenylsulfonyl)-2-cyclohexen-1-yl)-1-butanol
CID 390940
alpha-(Phenylsulfonyldifluoromethyl)cyclohexanemethanol
CID 19804783

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol?
The IUPAC name of (1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol (CID 134979319) is (1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol?
The canonical SMILES for (1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol is C=C[C@@]1(S(=O)(=O)c2ccccc2)CCC[C@H]1[C@@H](O)CC.
What is the InChIKey of (1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol?
The InChIKey is SNIHDFGBOQXDML-HRCADAONSA-N. The full InChI is InChI=1S/C16H22O3S/c1-3-15(17)14-11-8-12-16(14,4-2)20(18,19)13-9-6-5-7-10-13/h4-7,9-10,14-15,17H,2-3,8,11-12H2,1H3/t14-,15-,16+/m0/s1.
What are the key properties of (1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol?
(1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol has a molecular weight of 294.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2S)-2-(benzenesulfonyl)-2-ethenylcyclopentyl]propan-1-ol is sourced from PubChem (CID 134979319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).