tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine

C125H187N7O13S5 — CID 158176071

About tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine

tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine (PubChem CID 158176071) has the molecular formula C125H187N7O13S5 and a molecular weight of 2156.24 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine
• PubChem CID: 158176071
• Molecular Formula: C125H187N7O13S5
• Molecular Weight: 2156.24 g/mol
• Exact Mass: 2154.28
• IUPAC Name: tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine
• SMILES: CC(C)S(=O)(=O)CC1CCC(CCc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCC(N)C3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCC(NC(=O)OC(C)(C)C)C3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1
• InChI: InChI=1S/C27H44N2O4S.C26H35NO2S.C26H33NO2S.C24H39NO3S.C22H36N2O2S/c1-20(2)34(31,32)19-23-10-8-21(9-11-23)6-7-22-12-14-25(15-13-22)29-17-16-24(18-29)28-26(30)33-27(3,4)5;2*1-20(2)30(28,29)19-23-11-9-21(10-12-23)7-8-22-13-15-25(16-14-22)27-18-17-24-5-3-4-6-26(24)27;1-18(2)29(26,27)17-23-9-7-21(8-10-23)5-6-22-11-13-24(14-12-22)25-15-19(3)28-20(4)16-25;1-17(2)27(25,26)16-20-7-5-18(6-8-20)3-4-19-9-11-22(12-10-19)24-14-13-21(23)15-24/h12-15,20-21,23-24H,6-11,16-19H2,1-5H3,(H,28,30);3-6,13-16,20-21,23H,7-12,17-19H2,1-2H3;3-6,13-18,20-21,23H,7-12,19H2,1-2H3;11-14,18-21,23H,5-10,15-17H2,1-4H3;9-12,17-18,20-21H,3-8,13-16,23H2,1-2H3/t;;;19-,20+,21?,23?
• InChIKey: FYAAGEWMCYVUCX-CGMQRQSWSA-N
• XLogP: 26.14
• TPSA: 262.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 36
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2156.24
LogP ≤ 5	26.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine?

The IUPAC name of tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine (CID 158176071) is tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine.

What is the SMILES notation for tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine?

The canonical SMILES for tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine is CC(C)S(=O)(=O)CC1CCC(CCc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCC(N)C3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCC(NC(=O)OC(C)(C)C)C3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.

What is the InChIKey of tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine?

The InChIKey is FYAAGEWMCYVUCX-CGMQRQSWSA-N. The full InChI is InChI=1S/C27H44N2O4S.C26H35NO2S.C26H33NO2S.C24H39NO3S.C22H36N2O2S/c1-20(2)34(31,32)19-23-10-8-21(9-11-23)6-7-22-12-14-25(15-13-22)29-17-16-24(18-29)28-26(30)33-27(3,4)5;2*1-20(2)30(28,29)19-23-11-9-21(10-12-23)7-8-22-13-15-25(16-14-22)27-18-17-24-5-3-4-6-26(24)27;1-18(2)29(26,27)17-23-9-7-21(8-10-23)5-6-22-11-13-24(14-12-22)25-15-19(3)28-20(4)16-25;1-17(2)27(25,26)16-20-7-5-18(6-8-20)3-4-19-9-11-22(12-10-19)24-14-13-21(23)15-24/h12-15,20-21,23-24H,6-11,16-19H2,1-5H3,(H,28,30);3-6,13-16,20-21,23H,7-12,17-19H2,1-2H3;3-6,13-18,20-21,23H,7-12,19H2,1-2H3;11-14,18-21,23H,5-10,15-17H2,1-4H3;9-12,17-18,20-21H,3-8,13-16,23H2,1-2H3/t;;;19-,20+,21?,23?;.

What are the key properties of tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine?

tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine has a molecular weight of 2156.24 g/mol, XLogP of 26.14, 36 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2S,6R)-2,6-dimethyl-4-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]morpholine;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]indole;1-[4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 158176071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).