5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine

C141H237N3O15S6 — CID 159635757

About 5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine

5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine (PubChem CID 159635757) has the molecular formula C141H237N3O15S6 and a molecular weight of 2406.85 g/mol. Its IUPAC name is 5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine.

Molecular Properties

• Compound Name: 5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine
• PubChem CID: 159635757
• Molecular Formula: C141H237N3O15S6
• Molecular Weight: 2406.85 g/mol
• Exact Mass: 2404.62
• IUPAC Name: 5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine
• SMILES: Cc1c(CCCCCCCS(=O)(=O)C(C)(C)C)ccc(N2C[C@@H](C)O[C@@H](C)C2)c1C.Cc1c(CCCCCCCS(=O)(=O)C(C)(C)C)ccc2c1CC(C)C2.Cc1c(CCCCCCCS(=O)(=O)C(C)(C)C)ccc2c1CCC2C.Cc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)c(C)c2c1CCC2.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1CCCCCCCS(=O)(=O)C(C)(C)C.Cc1cc(N2C[C@H](C)O[C@H](C)C2C)ccc1CCCCCCCS(=O)(=O)C(C)(C)C
• InChI: InChI=1S/3C25H43NO3S.3C22H36O2S/c1-19-17-26(18-20(2)29-19)24-15-14-23(21(3)22(24)4)13-11-9-8-10-12-16-30(27,28)25(5,6)7;1-19-17-24(26-18-20(2)29-22(4)21(26)3)15-14-23(19)13-11-9-8-10-12-16-30(27,28)25(5,6)7;1-19-15-23(26-17-21(3)29-22(4)18-26)16-20(2)24(19)13-11-9-8-10-12-14-30(27,28)25(5,6)7;1-17-16-19(18(2)21-14-11-13-20(17)21)12-9-7-6-8-10-15-25(23,24)22(3,4)5;1-17-12-14-21-18(2)19(13-15-20(17)21)11-9-7-6-8-10-16-25(23,24)22(3,4)5;1-17-15-20-13-12-19(18(2)21(20)16-17)11-9-7-6-8-10-14-25(23,24)22(3,4)5/h14-15,19-20H,8-13,16-18H2,1-7H3;14-15,17,20-22H,8-13,16,18H2,1-7H3;15-16,21-22H,8-14,17-18H2,1-7H3;16H,6-15H2,1-5H3;13,15,17H,6-12,14,16H2,1-5H3;12-13,17H,6-11,14-16H2,1-5H3/t19-,20+;20-,21?,22+;21-,22+;;;/m.0..../s1
• InChIKey: MPSJZPGOPULCCG-GSSVNNSBSA-N
• XLogP: 33.64
• TPSA: 242.25 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 51
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2406.85
LogP ≤ 5	33.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine?

The IUPAC name of 5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine (CID 159635757) is 5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine.

What is the SMILES notation for 5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine?

The canonical SMILES for 5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine is Cc1c(CCCCCCCS(=O)(=O)C(C)(C)C)ccc(N2C[C@@H](C)O[C@@H](C)C2)c1C.Cc1c(CCCCCCCS(=O)(=O)C(C)(C)C)ccc2c1CC(C)C2.Cc1c(CCCCCCCS(=O)(=O)C(C)(C)C)ccc2c1CCC2C.Cc1cc(CCCCCCCS(=O)(=O)C(C)(C)C)c(C)c2c1CCC2.Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)cc(C)c1CCCCCCCS(=O)(=O)C(C)(C)C.Cc1cc(N2C[C@H](C)O[C@H](C)C2C)ccc1CCCCCCCS(=O)(=O)C(C)(C)C.

What is the InChIKey of 5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine?

The InChIKey is MPSJZPGOPULCCG-GSSVNNSBSA-N. The full InChI is InChI=1S/3C25H43NO3S.3C22H36O2S/c1-19-17-26(18-20(2)29-19)24-15-14-23(21(3)22(24)4)13-11-9-8-10-12-16-30(27,28)25(5,6)7;1-19-17-24(26-18-20(2)29-22(4)21(26)3)15-14-23(19)13-11-9-8-10-12-16-30(27,28)25(5,6)7;1-19-15-23(26-17-21(3)29-22(4)18-26)16-20(2)24(19)13-11-9-8-10-12-14-30(27,28)25(5,6)7;1-17-16-19(18(2)21-14-11-13-20(17)21)12-9-7-6-8-10-15-25(23,24)22(3,4)5;1-17-12-14-21-18(2)19(13-15-20(17)21)11-9-7-6-8-10-16-25(23,24)22(3,4)5;1-17-15-20-13-12-19(18(2)21(20)16-17)11-9-7-6-8-10-14-25(23,24)22(3,4)5/h14-15,19-20H,8-13,16-18H2,1-7H3;14-15,17,20-22H,8-13,16,18H2,1-7H3;15-16,21-22H,8-14,17-18H2,1-7H3;16H,6-15H2,1-5H3;13,15,17H,6-12,14,16H2,1-5H3;12-13,17H,6-11,14-16H2,1-5H3/t19-,20+;20-,21?,22+;21-,22+;;;/m.0..../s1.

What are the key properties of 5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine?

5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine has a molecular weight of 2406.85 g/mol, XLogP of 33.64, 51 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-tert-butylsulfonylheptyl)-1,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-2,4-dimethyl-2,3-dihydro-1H-indene;5-(7-tert-butylsulfonylheptyl)-4,7-dimethyl-2,3-dihydro-1H-indene;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-2,3-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3,5-dimethylphenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-(7-tert-butylsulfonylheptyl)-3-methylphenyl]-2,3,6-trimethylmorpholine is sourced from PubChem (CID 159635757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).