5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate)

C151H234N6O19S9-4 — CID 157437566

About 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate)

5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate) (PubChem CID 157437566) has the molecular formula C151H234N6O19S9-4 and a molecular weight of 2726.16 g/mol. Its IUPAC name is 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate).

Molecular Properties

• Compound Name: 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate)
• PubChem CID: 157437566
• Molecular Formula: C151H234N6O19S9-4
• Molecular Weight: 2726.16 g/mol
• Exact Mass: 2723.50
• IUPAC Name: 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate)
• SMILES: CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)CCC3)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3ocnc3c2)CC1.CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)NC(=O)c1cccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1.CC1CCC(CCCCc2ccc(S(N)(=O)=O)cc2)CC1.CC1CCC(CCc2ccc(Cc3ccncc3)cc2)CC1.CC1CCC(CCc2ccc3ncsc3c2)CC1.CC1CCC(CCc2cccc(C(N)=O)c2)CC1
• InChI: InChI=1S/C23H37NO3S.C22H34O2S.C21H27N.C20H29NO3S.C17H27NO2S.C16H23NO.C16H21NS.4C4H10O2S/c1-17(2)24-22(25)21-8-6-7-19(15-21)12-9-18-10-13-20(14-11-18)16-28(26,27)23(3,4)5;1-22(2,3)25(23,24)16-19-11-8-17(9-12-19)7-10-18-13-14-20-5-4-6-21(20)15-18;1-17-2-4-18(5-3-17)6-7-19-8-10-20(11-9-19)16-21-12-14-22-15-13-21;1-20(2,3)25(22,23)13-17-8-5-15(6-9-17)4-7-16-10-11-19-18(12-16)21-14-24-19;1-14-6-8-15(9-7-14)4-2-3-5-16-10-12-17(13-11-16)21(18,19)20;1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17)18;1-12-2-4-13(5-3-12)6-7-14-8-9-15-16(10-14)18-11-17-15;4*1-4(2,3)7(5)6/h6-8,15,17-18,20H,9-14,16H2,1-5H3,(H,24,25);13-15,17,19H,4-12,16H2,1-3H3;8-15,17-18H,2-7,16H2,1H3;10-12,14-15,17H,4-9,13H2,1-3H3;10-15H,2-9H2,1H3,(H2,18,19,20);2-4,11-13H,5-10H2,1H3,(H2,17,18);8-13H,2-7H2,1H3;4*1-3H3,(H,5,6)/p-4
• InChIKey: BLHWMEAXZIAXFZ-UHFFFAOYSA-J
• XLogP: 35.24
• TPSA: 447.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 35
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2726.16
LogP ≤ 5	35.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate)?

The IUPAC name of 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate) (CID 157437566) is 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate).

What is the SMILES notation for 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate)?

The canonical SMILES for 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate) is CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3c(c2)CCC3)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc3ocnc3c2)CC1.CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)NC(=O)c1cccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)c1.CC1CCC(CCCCc2ccc(S(N)(=O)=O)cc2)CC1.CC1CCC(CCc2ccc(Cc3ccncc3)cc2)CC1.CC1CCC(CCc2ccc3ncsc3c2)CC1.CC1CCC(CCc2cccc(C(N)=O)c2)CC1.

What is the InChIKey of 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate)?

The InChIKey is BLHWMEAXZIAXFZ-UHFFFAOYSA-J. The full InChI is InChI=1S/C23H37NO3S.C22H34O2S.C21H27N.C20H29NO3S.C17H27NO2S.C16H23NO.C16H21NS.4C4H10O2S/c1-17(2)24-22(25)21-8-6-7-19(15-21)12-9-18-10-13-20(14-11-18)16-28(26,27)23(3,4)5;1-22(2,3)25(23,24)16-19-11-8-17(9-12-19)7-10-18-13-14-20-5-4-6-21(20)15-18;1-17-2-4-18(5-3-17)6-7-19-8-10-20(11-9-19)16-21-12-14-22-15-13-21;1-20(2,3)25(22,23)13-17-8-5-15(6-9-17)4-7-16-10-11-19-18(12-16)21-14-24-19;1-14-6-8-15(9-7-14)4-2-3-5-16-10-12-17(13-11-16)21(18,19)20;1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17)18;1-12-2-4-13(5-3-12)6-7-14-8-9-15-16(10-14)18-11-17-15;4*1-4(2,3)7(5)6/h6-8,15,17-18,20H,9-14,16H2,1-5H3,(H,24,25);13-15,17,19H,4-12,16H2,1-3H3;8-15,17-18H,2-7,16H2,1H3;10-12,14-15,17H,4-9,13H2,1-3H3;10-15H,2-9H2,1H3,(H2,18,19,20);2-4,11-13H,5-10H2,1H3,(H2,17,18);8-13H,2-7H2,1H3;4*1-3H3,(H,5,6)/p-4.

What are the key properties of 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate)?

5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate) has a molecular weight of 2726.16 g/mol, XLogP of 35.24, 35 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3-benzoxazole;5-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2,3-dihydro-1H-indene;3-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-N-propan-2-ylbenzamide;4-[4-(4-methylcyclohexyl)butyl]benzenesulfonamide;3-[2-(4-methylcyclohexyl)ethyl]benzamide;6-[2-(4-methylcyclohexyl)ethyl]-1,3-benzothiazole;4-[[4-[2-(4-methylcyclohexyl)ethyl]phenyl]methyl]pyridine;tetrakis(2-methylpropane-2-sulfinate) is sourced from PubChem (CID 157437566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).