1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol

C14H20O3S — CID 22858124

IUPAC1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol
SMILESC[C@@H](CS(=O)(=O)c1ccccc1)C1(O)CCCC1
InChIInChI=1S/C14H20O3S/c1-12(14(15)9-5-6-10-14)11-18(16,17)13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3/t12-/m0/s1
InChIKeyDGOZAODKZBEJAM-LBPRGKRZSA-N
MW268.38 g/mol
LogP2.40
Rot. Bonds4

About 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol

1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol (PubChem CID 22858124) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol
PubChem CID22858124
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol
SMILESC[C@@H](CS(=O)(=O)c1ccccc1)C1(O)CCCC1
InChIInChI=1S/C14H20O3S/c1-12(14(15)9-5-6-10-14)11-18(16,17)13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3/t12-/m0/s1
InChIKeyDGOZAODKZBEJAM-LBPRGKRZSA-N
XLogP2.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((Phenylsulfinyl)methyl)cyclohexanol
CID 380799
2-Methyl-3-[(4-methylphenyl)sulfonyl]-4-penten-2-ol
CID 13283434
2-Methyl-3-phenylsulfanylheptan-2-ol
CID 11160765
(2-Methylcyclopentane-1-sulfonyl)benzene
CID 14669547
1-[(E)-2-(benzenesulfonyl)ethenyl]cyclohexan-1-ol
CID 14785612
(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)-2-methylcyclohept-3-en-1-ol
CID 121278389
5-(Benzenesulfonyl)-3,7-dimethylocta-1,6-dien-3-ol
CID 131854697
3-(Benzenesulfonylmethyl)-4,4,4-trifluoro-2-methylbutan-2-ol
CID 14772860
1-[Benzenesulfonyl(fluoro)methyl]-3-methylcyclobutan-1-ol
CID 68067455
5-(4-Fluorophenyl)sulfonyl-2,5-dimethylhexan-2-ol
CID 70259231

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol?
The IUPAC name of 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol (CID 22858124) is 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol is C[C@@H](CS(=O)(=O)c1ccccc1)C1(O)CCCC1.
What is the InChIKey of 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol?
The InChIKey is DGOZAODKZBEJAM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20O3S/c1-12(14(15)9-5-6-10-14)11-18(16,17)13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol?
1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 22858124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).