tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide

C151H230N12O17S8 — CID 160744714

About tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide

tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 160744714) has the molecular formula C151H230N12O17S8 and a molecular weight of 2742.10 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide
• PubChem CID: 160744714
• Molecular Formula: C151H230N12O17S8
• Molecular Weight: 2742.10 g/mol
• Exact Mass: 2739.53
• IUPAC Name: tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide
• SMILES: CC(C)S(=O)(=O)CCCCCCCc1ccc(-n2ccc3ccccc32)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(-n2cccn2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(C2=CSNN2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCC(N)C2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCC(NC(=O)OC(C)(C)C)C2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCc3ccccc32)cc1
• InChI: InChI=1S/C25H42N2O4S.C24H33NO2S.C24H31NO2S.C21H34N2O3S.C20H34N2O2S.C19H28N2O2S.C18H28N2O2S2/c1-20(2)32(29,30)18-10-8-6-7-9-11-21-12-14-23(15-13-21)27-17-16-22(19-27)26-24(28)31-25(3,4)5;2*1-20(2)28(26,27)19-9-5-3-4-6-10-21-13-15-23(16-14-21)25-18-17-22-11-7-8-12-24(22)25;1-17(2)27(25,26)16-7-5-3-4-6-9-18-11-13-19(14-12-18)23-15-8-10-20(23)21(22)24;1-17(2)25(23,24)15-7-5-3-4-6-8-18-9-11-20(12-10-18)22-14-13-19(21)16-22;1-17(2)24(22,23)16-7-5-3-4-6-9-18-10-12-19(13-11-18)21-15-8-14-20-21;1-15(2)24(21,22)13-7-5-3-4-6-8-16-9-11-17(12-10-16)18-14-23-20-19-18/h12-15,20,22H,6-11,16-19H2,1-5H3,(H,26,28);7-8,11-16,20H,3-6,9-10,17-19H2,1-2H3;7-8,11-18,20H,3-6,9-10,19H2,1-2H3;11-14,17,20H,3-10,15-16H2,1-2H3,(H2,22,24);9-12,17,19H,3-8,13-16,21H2,1-2H3;8,10-15,17H,3-7,9,16H2,1-2H3;9-12,14-15,19-20H,3-8,13H2,1-2H3/t;;;20-;;;/m...0.../s1
• InChIKey: RWAZNYFOPZTHNU-GIIPOJLXSA-N
• XLogP: 31.99
• TPSA: 406.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 72
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2742.10
LogP ≤ 5	31.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide?

The IUPAC name of tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide (CID 160744714) is tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide?

The canonical SMILES for tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide is CC(C)S(=O)(=O)CCCCCCCc1ccc(-n2ccc3ccccc32)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(-n2cccn2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(C2=CSNN2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCC(N)C2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCC(NC(=O)OC(C)(C)C)C2)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)S(=O)(=O)CCCCCCCc1ccc(N2CCc3ccccc32)cc1.

What is the InChIKey of tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide?

The InChIKey is RWAZNYFOPZTHNU-GIIPOJLXSA-N. The full InChI is InChI=1S/C25H42N2O4S.C24H33NO2S.C24H31NO2S.C21H34N2O3S.C20H34N2O2S.C19H28N2O2S.C18H28N2O2S2/c1-20(2)32(29,30)18-10-8-6-7-9-11-21-12-14-23(15-13-21)27-17-16-22(19-27)26-24(28)31-25(3,4)5;2*1-20(2)28(26,27)19-9-5-3-4-6-10-21-13-15-23(16-14-21)25-18-17-22-11-7-8-12-24(22)25;1-17(2)27(25,26)16-7-5-3-4-6-9-18-11-13-19(14-12-18)23-15-8-10-20(23)21(22)24;1-17(2)25(23,24)15-7-5-3-4-6-8-18-9-11-20(12-10-18)22-14-13-19(21)16-22;1-17(2)24(22,23)16-7-5-3-4-6-9-18-10-12-19(13-11-18)21-15-8-14-20-21;1-15(2)24(21,22)13-7-5-3-4-6-8-16-9-11-17(12-10-16)18-14-23-20-19-18/h12-15,20,22H,6-11,16-19H2,1-5H3,(H,26,28);7-8,11-16,20H,3-6,9-10,17-19H2,1-2H3;7-8,11-18,20H,3-6,9-10,19H2,1-2H3;11-14,17,20H,3-10,15-16H2,1-2H3,(H2,22,24);9-12,17,19H,3-8,13-16,21H2,1-2H3;8,10-15,17H,3-7,9,16H2,1-2H3;9-12,14-15,19-20H,3-8,13H2,1-2H3/t;;;20-;;;/m...0.../s1.

What are the key properties of tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide?

tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 2742.10 g/mol, XLogP of 31.99, 72 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-yl]carbamate;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydroindole;4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-2,3-dihydrothiadiazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]indole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrazole;1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidin-3-amine;(2S)-1-[4-(7-propan-2-ylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 160744714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).