methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate

C16H20O3S — CID 11460566

IUPACmethyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1CCC=C1[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C16H20O3S/c1-11-7-9-13(10-8-11)20(18)15-6-4-5-14(15)12(2)16(17)19-3/h6-10,12,14H,4-5H2,1-3H3/t12-,14-,20+/m1/s1
InChIKeyNFNKDGZDNWEKPT-ZGLRSVDFSA-N
MW292.40 g/mol
LogP3.21
Rot. Bonds4

About methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate

methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate (PubChem CID 11460566) has the molecular formula C16H20O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate
PubChem CID11460566
Molecular FormulaC16H20O3S
Molecular Weight292.40 g/mol
Exact Mass292.11
IUPAC Namemethyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1CCC=C1[S@@](=O)c1ccc(C)cc1
InChIInChI=1S/C16H20O3S/c1-11-7-9-13(10-8-11)20(18)15-6-4-5-14(15)12(2)16(17)19-3/h6-10,12,14H,4-5H2,1-3H3/t12-,14-,20+/m1/s1
InChIKeyNFNKDGZDNWEKPT-ZGLRSVDFSA-N
XLogP3.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate with MolForge

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Related Compounds

Methyl 6-{[(4-methylphenyl)sulfonyl]oxy}hexanoate
CID 357797
Methyl 3-cyclopentyl-2-(4-methylsulfonylphenyl)propionate
CID 19261331
2-(4-Methylphenyl)sulfanylhexanoic acid
CID 85893591
1-[(4-Methylphenyl)sulfanyl]cyclopentane-1-carboxylic acid
CID 61344748
(4S,5S)-4-methyl-5-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-one
CID 11536147
Ethyl 3-(4-methylsulfonylphenyl)propanoate
CID 11849413
Methyl 2-(4-methylphenyl)sulfinylacetate
CID 13012318
Methyl 3-(4-methanesulfonylphenyl)propanoate
CID 70826340
Ethyl 2-((4-methylphenyl)sulfonyl)cyclopentanecarboxylate
CID 382191
3-(4-Methylpent-3-enyl)-4-(2-methylprop-1-enyl)-3-phenylsulfanyloxolan-2-one
CID 395711
Cyclopropanecarboxylic acid, 1-((4-methylphenyl)sulfonyl)-, methyl ester
CID 86444
Cyclohexanecarboxylic acid, 1-((4-methylphenyl)sulfonyl)-, methyl ester
CID 181420

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate (CID 11460566) is methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate is COC(=O)[C@H](C)[C@H]1CCC=C1[S@@](=O)c1ccc(C)cc1.
What is the InChIKey of methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate?
The InChIKey is NFNKDGZDNWEKPT-ZGLRSVDFSA-N. The full InChI is InChI=1S/C16H20O3S/c1-11-7-9-13(10-8-11)20(18)15-6-4-5-14(15)12(2)16(17)19-3/h6-10,12,14H,4-5H2,1-3H3/t12-,14-,20+/m1/s1.
What are the key properties of methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate?
methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate has a molecular weight of 292.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(1R)-2-[(S)-(4-methylphenyl)sulfinyl]cyclopent-2-en-1-yl]propanoate is sourced from PubChem (CID 11460566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).