(2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole

C116H164N8O11S6-2 — CID 158215283

About (2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole

(2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole (PubChem CID 158215283) has the molecular formula C116H164N8O11S6-2 and a molecular weight of 2039.03 g/mol. Its IUPAC name is (2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole.

Molecular Properties

• Compound Name: (2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole
• PubChem CID: 158215283
• Molecular Formula: C116H164N8O11S6-2
• Molecular Weight: 2039.03 g/mol
• Exact Mass: 2037.09
• IUPAC Name: (2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole
• SMILES: CC(C)S(=O)(=O)CC1CCC(CCc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(-n3cccn3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(CCc2ccc(-c3csnn3)cc2)CC1.CC1CCC(CCc2ccc(N3CCC[C@H]3C(N)=O)cc2)CC1
• InChI: InChI=1S/C26H35NO2S.C26H33NO2S.C21H30N2O2S.C20H30N2O.C17H22N2S.2C3H8O2S/c2*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;1-17(2)26(24,25)16-20-8-6-18(7-9-20)4-5-19-10-12-21(13-11-19)23-15-3-14-22-23;1-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)22-14-2-3-19(22)20(21)23;1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)17-12-20-19-18-17;2*1-3(2)6(4)5/h3-6,13-16,20-21,23H,7-12,17-19H2,1-2H3;3-6,13-18,20-21,23H,7-12,19H2,1-2H3;3,10-15,17-18,20H,4-9,16H2,1-2H3;10-13,15-16,19H,2-9,14H2,1H3,(H2,21,23);8-14H,2-7H2,1H3;2*3H,1-2H3,(H,4,5)/p-2/t;;;15?,16?,19-;;;/m...0.../s1
• InChIKey: HCHWXWJOXMJKAI-ZNLPQMITSA-L
• XLogP: 25.98
• TPSA: 280.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 32
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2039.03
LogP ≤ 5	25.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole?

The IUPAC name of (2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole (CID 158215283) is (2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole.

What is the SMILES notation for (2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole?

The canonical SMILES for (2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole is CC(C)S(=O)(=O)CC1CCC(CCc2ccc(-n3ccc4ccccc43)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(-n3cccn3)cc2)CC1.CC(C)S(=O)(=O)CC1CCC(CCc2ccc(N3CCc4ccccc43)cc2)CC1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC1CCC(CCc2ccc(-c3csnn3)cc2)CC1.CC1CCC(CCc2ccc(N3CCC[C@H]3C(N)=O)cc2)CC1.

What is the InChIKey of (2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole?

The InChIKey is HCHWXWJOXMJKAI-ZNLPQMITSA-L. The full InChI is InChI=1S/C26H35NO2S.C26H33NO2S.C21H30N2O2S.C20H30N2O.C17H22N2S.2C3H8O2S/c2*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;1-17(2)26(24,25)16-20-8-6-18(7-9-20)4-5-19-10-12-21(13-11-19)23-15-3-14-22-23;1-15-4-6-16(7-5-15)8-9-17-10-12-18(13-11-17)22-14-2-3-19(22)20(21)23;1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)17-12-20-19-18-17;2*1-3(2)6(4)5/h3-6,13-16,20-21,23H,7-12,17-19H2,1-2H3;3-6,13-18,20-21,23H,7-12,19H2,1-2H3;3,10-15,17-18,20H,4-9,16H2,1-2H3;10-13,15-16,19H,2-9,14H2,1H3,(H2,21,23);8-14H,2-7H2,1H3;2*3H,1-2H3,(H,4,5)/p-2/t;;;15?,16?,19-;;;/m...0.../s1.

What are the key properties of (2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole?

(2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole has a molecular weight of 2039.03 g/mol, XLogP of 25.98, 32 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidine-2-carboxamide;4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]thiadiazole;bis(propane-2-sulfinate);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]pyrazole is sourced from PubChem (CID 158215283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).