cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate

C15H20O5S — CID 102000987

IUPACcis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@]1(S(=O)(=O)c2ccc(C)cc2)CC[C@H](O)C1
InChIInChI=1S/C15H20O5S/c1-3-20-14(17)15(9-8-12(16)10-15)21(18,19)13-6-4-11(2)5-7-13/h4-7,12,16H,3,8-10H2,1-2H3/t12-,15-/m0/s1
InChIKeyQQNPERMZXGRRFR-WFASDCNBSA-N
MW312.39 g/mol
LogP1.62
Rot. Bonds4

About cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate

cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate (PubChem CID 102000987) has the molecular formula C15H20O5S and a molecular weight of 312.39 g/mol. Its IUPAC name is cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate
PubChem CID102000987
Molecular FormulaC15H20O5S
Molecular Weight312.39 g/mol
Exact Mass312.10
IUPAC Namecis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@]1(S(=O)(=O)c2ccc(C)cc2)CC[C@H](O)C1
InChIInChI=1S/C15H20O5S/c1-3-20-14(17)15(9-8-12(16)10-15)21(18,19)13-6-4-11(2)5-7-13/h4-7,12,16H,3,8-10H2,1-2H3/t12-,15-/m0/s1
InChIKeyQQNPERMZXGRRFR-WFASDCNBSA-N
XLogP1.62
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-ethyl (1R,2R)-1-amino-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999559
ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate
CID 3754898
ethyl 1,4-bis-(4-methylphenyl)sulfonyloxycyclohexane-1-carboxylate
CID 175505300
cis-ethyl (1R,2S)-1-(aminomethyl)-2-(4-methylphenyl)sulfonylcyclopropane-1-carboxylate
CID 99999528
methyl 4-(4-methylphenyl)sulfonyloxane-4-carboxylate
CID 3239604
diethyl 3-[(4-methylphenyl)sulfonyloxymethyl]cyclobutane-1,1-dicarboxylate
CID 139713306
ethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 11132010
4,4-bis[(4-methylphenyl)sulfonylmethyl]cyclohexan-1-ol
CID 67174130
1-(4-methylphenyl)sulfonylcycloheptane-1-carboxylic acid
CID 43519387
ethyl 4-(benzenesulfonyl)-1-benzylpiperidin-1-ium-4-carboxylate
CID 7081642
spiro[2.5]octan-6-ol;spiro[2.5]octan-6-yl 4-methylbenzenesulfonate
CID 165035679
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate (CID 102000987) is cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate is CCOC(=O)[C@]1(S(=O)(=O)c2ccc(C)cc2)CC[C@H](O)C1.
What is the InChIKey of cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate?
The InChIKey is QQNPERMZXGRRFR-WFASDCNBSA-N. The full InChI is InChI=1S/C15H20O5S/c1-3-20-14(17)15(9-8-12(16)10-15)21(18,19)13-6-4-11(2)5-7-13/h4-7,12,16H,3,8-10H2,1-2H3/t12-,15-/m0/s1.
What are the key properties of cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate?
cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,3S)-3-hydroxy-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxylate is sourced from PubChem (CID 102000987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).