cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol

C15H20O3S — CID 10858895

IUPACcis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol
SMILESC=C(C[S@@](=O)c1ccc(C)cc1)O[C@H]1CCC[C@H]1O
InChIInChI=1S/C15H20O3S/c1-11-6-8-13(9-7-11)19(17)10-12(2)18-15-5-3-4-14(15)16/h6-9,14-16H,2-5,10H2,1H3/t14-,15+,19-/m1/s1
InChIKeyZIDZDPURKVPARG-ZRGWGRIASA-N
MW280.39 g/mol
LogP2.55
Rot. Bonds5

About cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol

cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol (PubChem CID 10858895) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol
PubChem CID10858895
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Namecis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol
SMILESC=C(C[S@@](=O)c1ccc(C)cc1)O[C@H]1CCC[C@H]1O
InChIInChI=1S/C15H20O3S/c1-11-6-8-13(9-7-11)19(17)10-12(2)18-15-5-3-4-14(15)16/h6-9,14-16H,2-5,10H2,1H3/t14-,15+,19-/m1/s1
InChIKeyZIDZDPURKVPARG-ZRGWGRIASA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol
CID 115623
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
CID 7315241
trans-(1R,2R)-2-(4-methylphenyl)sulfinylcyclohexan-1-ol
CID 11031949
[(2R,4R,5S)-4-fluoro-5-[(4-methylphenyl)sulfinylmethyl]oxolan-2-yl]methanol
CID 134934219
2-Hydroxy-3-(4-methylbenzene-1-sulfinyl)propyl acetate
CID 327159
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
CID 15473194
trans-(1S,2S)-2-(4-methylphenyl)sulfanylcyclopentan-1-ol
CID 100924602
1-Tosyltetraethylene glycol
CID 21244009
4-Methylphenyl 1-thio-alpha-D-mannopyranoside
CID 23635454
Triethylene glycol monotosyl ester
CID 117680098
(2R,3R)-3-fluoro-2-[[(S)-(4-methylphenyl)sulfinyl]methyl]hept-6-ene-1,2-diol
CID 10518323
(2R,3R)-3-fluoro-2-[(4-methylphenyl)sulfinylmethyl]hept-6-ene-1,2-diol
CID 101025300

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol (CID 10858895) is cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol is C=C(C[S@@](=O)c1ccc(C)cc1)O[C@H]1CCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol?
The InChIKey is ZIDZDPURKVPARG-ZRGWGRIASA-N. The full InChI is InChI=1S/C15H20O3S/c1-11-6-8-13(9-7-11)19(17)10-12(2)18-15-5-3-4-14(15)16/h6-9,14-16H,2-5,10H2,1H3/t14-,15+,19-/m1/s1.
What are the key properties of cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol?
cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol has a molecular weight of 280.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[3-[(R)-(4-methylphenyl)sulfinyl]prop-1-en-2-yloxy]cyclopentan-1-ol is sourced from PubChem (CID 10858895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).