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

C14H20O3S — CID 22858127

IUPAC1-[(2S)-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-/m1/s1
InChIKeyDGOZAODKZBEJAM-GFCCVEGCSA-N
MW268.38 g/mol
LogP2.40
Rot. Bonds4

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

1-[(2S)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol (PubChem CID 22858127) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-[(2S)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2S)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol
PubChem CID22858127
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name1-[(2S)-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-/m1/s1
InChIKeyDGOZAODKZBEJAM-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol?
The IUPAC name of 1-[(2S)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol (CID 22858127) is 1-[(2S)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2S)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2S)-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-[(2S)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol?
The InChIKey is DGOZAODKZBEJAM-GFCCVEGCSA-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-/m1/s1.
What are the key properties of 1-[(2S)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol?
1-[(2S)-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-[(2S)-1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 22858127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).