4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol

C135H160FN7O16S5 — CID 167664950

IUPAC4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol
SMILESCOc1ccc(SC2C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)cc1.Cc1ccc(OC2C[C@@H]3CN(CC(O)c4ccc(OCc5ccccc5)cc4)C[C@@H]3C2)cc1.Cc1ccc(SC2C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)cc1.O=S(=O)(c1ccccc1)C1C[C@@H]2CN(CC(O)c3ccc(O)cc3)C[C@@H]2C1.Oc1ccc(C(O)CN2C[C@H]3CC(Sc4ccccc4)C[C@H]3C2)cc1.Oc1ccc(C(O)CN2C[C@H]3CC(Sc4ccccc4F)C[C@H]3C2)nc1
InChIInChI=1S/C29H33NO3.C22H27NO3S.C22H27NO2S.C21H25NO4S.C21H25NO2S.C20H23FN2O2S/c1-21-7-11-27(12-8-21)33-28-15-24-17-30(18-25(24)16-28)19-29(31)23-9-13-26(14-10-23)32-20-22-5-3-2-4-6-22;1-26-19-6-8-20(9-7-19)27-21-10-16-12-23(13-17(16)11-21)14-22(25)15-2-4-18(24)5-3-15;1-15-2-8-20(9-3-15)26-21-10-17-12-23(13-18(17)11-21)14-22(25)16-4-6-19(24)7-5-16;23-18-8-6-15(7-9-18)21(24)14-22-12-16-10-20(11-17(16)13-22)27(25,26)19-4-2-1-3-5-19;23-18-8-6-15(7-9-18)21(24)14-22-12-16-10-20(11-17(16)13-22)25-19-4-2-1-3-5-19;21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h2-14,24-25,28-29,31H,15-20H2,1H3;2-9,16-17,21-22,24-25H,10-14H2,1H3;2-9,17-18,21-22,24-25H,10-14H2,1H3;1-9,16-17,20-21,23-24H,10-14H2;1-9,16-17,20-21,23-24H,10-14H2;1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t24-,25+,28?,29?;16-,17+,21?,22?;17-,18+,21?,22?;2*16-,17+,20?,21?;13-,14+,16?,19?
InChIKeySMNKJTIWTUMQRC-VLBPKTACSA-N
MW2316.13 g/mol
LogP23.57
Rot. Bonds34

About 4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol

4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol (PubChem CID 167664950) has the molecular formula C135H160FN7O16S5 and a molecular weight of 2316.13 g/mol. Its IUPAC name is 4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol
PubChem CID167664950
Molecular FormulaC135H160FN7O16S5
Molecular Weight2316.13 g/mol
Exact Mass2314.05
IUPAC Name4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol
SMILESCOc1ccc(SC2C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)cc1.Cc1ccc(OC2C[C@@H]3CN(CC(O)c4ccc(OCc5ccccc5)cc4)C[C@@H]3C2)cc1.Cc1ccc(SC2C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)cc1.O=S(=O)(c1ccccc1)C1C[C@@H]2CN(CC(O)c3ccc(O)cc3)C[C@@H]2C1.Oc1ccc(C(O)CN2C[C@H]3CC(Sc4ccccc4)C[C@H]3C2)cc1.Oc1ccc(C(O)CN2C[C@H]3CC(Sc4ccccc4F)C[C@H]3C2)nc1
InChIInChI=1S/C29H33NO3.C22H27NO3S.C22H27NO2S.C21H25NO4S.C21H25NO2S.C20H23FN2O2S/c1-21-7-11-27(12-8-21)33-28-15-24-17-30(18-25(24)16-28)19-29(31)23-9-13-26(14-10-23)32-20-22-5-3-2-4-6-22;1-26-19-6-8-20(9-7-19)27-21-10-16-12-23(13-17(16)11-21)14-22(25)15-2-4-18(24)5-3-15;1-15-2-8-20(9-3-15)26-21-10-17-12-23(13-18(17)11-21)14-22(25)16-4-6-19(24)7-5-16;23-18-8-6-15(7-9-18)21(24)14-22-12-16-10-20(11-17(16)13-22)27(25,26)19-4-2-1-3-5-19;23-18-8-6-15(7-9-18)21(24)14-22-12-16-10-20(11-17(16)13-22)25-19-4-2-1-3-5-19;21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h2-14,24-25,28-29,31H,15-20H2,1H3;2-9,16-17,21-22,24-25H,10-14H2,1H3;2-9,17-18,21-22,24-25H,10-14H2,1H3;1-9,16-17,20-21,23-24H,10-14H2;1-9,16-17,20-21,23-24H,10-14H2;1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t24-,25+,28?,29?;16-,17+,21?,22?;17-,18+,21?,22?;2*16-,17+,20?,21?;13-,14+,16?,19?
InChIKeySMNKJTIWTUMQRC-VLBPKTACSA-N
XLogP23.57
TPSA316.69 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds34
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002316.13
LogP ≤ 523.57
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol with MolForge

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Related Compounds

(3aS,6aR)-2-[2-methoxy-2-(4-phenylmethoxyphenyl)ethyl]-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-[(3aR,6aS)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;4-[2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-methoxyethyl]phenol;2-[(3aR,6aS)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[(3aR,6aS)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone
CID 157202129
4-[2-[(3aR,6aS)-5-(2,6-difluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2,6-difluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;6-[2-[(3aS,6aR)-5-(2-fluoro-6-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aR,6aS)-5-(2-fluoro-4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(2-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol
CID 167601837
6-[2-[(3aR,6aS)-5-[(6-fluoro-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol
CID 134450620
(3aS,6aR)-2-[2-methoxy-2-(4-phenylmethoxyphenyl)ethyl]-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 134450604
4-[2-[(3aR,6aS)-5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;2-[(3aS,6aR)-5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-hydroxyphenyl)ethanone;2-[(3aS,6aR)-5-[(6-methyl-3-pyridinyl)oxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone;6-[2-[(3aS,6aR)-5-phenoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol
CID 159370691
4-[2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;bis(2-[(3aS,6aR)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone);6-[2-[(3aS,6aR)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;bis(2-[(3aR,6aS)-5-(2-fluoro-3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(5-hydroxy-2-pyridinyl)ethanone);6-[2-[(3aR,6aS)-5-pyrazin-2-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol
CID 159554722
4-[2-[(3aR,6aS)-5-(3,4-difluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol
CID 118981739
4-[2-[(3aS,6aR)-5-(2-fluoro-6-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol
CID 134450592
4-[(1S)-2-[(3aR,6aS)-5-(2-fluoro-6-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol
CID 138650119
6-[1-[(3aR,6aS)-5-(2-fluoro-5-methoxyphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol
CID 134454656
6-[1-[(3aS,6aR)-5-(2,6-difluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-3-ol
CID 134454729
(3aS)-2-[2-hydroxy-2-(5-hydroxy-2-pyridinyl)ethyl]-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 135375272

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol?
The IUPAC name of 4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol (CID 167664950) is 4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol is COc1ccc(SC2C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)cc1.Cc1ccc(OC2C[C@@H]3CN(CC(O)c4ccc(OCc5ccccc5)cc4)C[C@@H]3C2)cc1.Cc1ccc(SC2C[C@@H]3CN(CC(O)c4ccc(O)cc4)C[C@@H]3C2)cc1.O=S(=O)(c1ccccc1)C1C[C@@H]2CN(CC(O)c3ccc(O)cc3)C[C@@H]2C1.Oc1ccc(C(O)CN2C[C@H]3CC(Sc4ccccc4)C[C@H]3C2)cc1.Oc1ccc(C(O)CN2C[C@H]3CC(Sc4ccccc4F)C[C@H]3C2)nc1.
What is the InChIKey of 4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol?
The InChIKey is SMNKJTIWTUMQRC-VLBPKTACSA-N. The full InChI is InChI=1S/C29H33NO3.C22H27NO3S.C22H27NO2S.C21H25NO4S.C21H25NO2S.C20H23FN2O2S/c1-21-7-11-27(12-8-21)33-28-15-24-17-30(18-25(24)16-28)19-29(31)23-9-13-26(14-10-23)32-20-22-5-3-2-4-6-22;1-26-19-6-8-20(9-7-19)27-21-10-16-12-23(13-17(16)11-21)14-22(25)15-2-4-18(24)5-3-15;1-15-2-8-20(9-3-15)26-21-10-17-12-23(13-18(17)11-21)14-22(25)16-4-6-19(24)7-5-16;23-18-8-6-15(7-9-18)21(24)14-22-12-16-10-20(11-17(16)13-22)27(25,26)19-4-2-1-3-5-19;23-18-8-6-15(7-9-18)21(24)14-22-12-16-10-20(11-17(16)13-22)25-19-4-2-1-3-5-19;21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h2-14,24-25,28-29,31H,15-20H2,1H3;2-9,16-17,21-22,24-25H,10-14H2,1H3;2-9,17-18,21-22,24-25H,10-14H2,1H3;1-9,16-17,20-21,23-24H,10-14H2;1-9,16-17,20-21,23-24H,10-14H2;1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t24-,25+,28?,29?;16-,17+,21?,22?;17-,18+,21?,22?;2*16-,17+,20?,21?;13-,14+,16?,19?.
What are the key properties of 4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol?
4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol has a molecular weight of 2316.13 g/mol, XLogP of 23.57, 34 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3aS,6aR)-5-(benzenesulfonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;6-[2-[(3aS,6aR)-5-(2-fluorophenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol;4-[2-[(3aS,6aR)-5-(4-methoxyphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;2-[(3aS,6aR)-5-(4-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-phenylmethoxyphenyl)ethanol;4-[2-[(3aS,6aR)-5-(4-methylphenyl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;4-[2-[(3aS,6aR)-5-phenylsulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol is sourced from PubChem (CID 167664950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).