benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine)

C248H468N10O23S11 — CID 157446005

About benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine)

benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine) (PubChem CID 157446005) has the molecular formula C248H468N10O23S11 and a molecular weight of 4311.26 g/mol. Its IUPAC name is benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine).

Molecular Properties

• Compound Name: benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine)
• PubChem CID: 157446005
• Molecular Formula: C248H468N10O23S11
• Molecular Weight: 4311.26 g/mol
• Exact Mass: 4307.27
• IUPAC Name: benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine)
• SMILES: C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)N(C)S(C)(=O)=O.CC1(C)C(O)c2ccccc2S1(=O)=O.CC1(C)CN(S(C)(=O)=O)C1.CN1CCCCC1.COC1(C)c2ccccc2S(=O)(=O)C1(C)C.COC1c2ccccc2S(=O)(=O)C1(C)C.CS(=O)(=O)Cc1ccccc1.CS(=O)(=O)N1CCOCC1.CS(=O)(=O)N1CCOCC1.Cc1cccs1.Cc1nccn1C.Cc1nccs1.O=S1(=O)c2ccccc2-c2ccccc21.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/C12H16O3S.C12H8O2S.C11H14O3S.C10H12O3S.C8H10O2S.C6H13NO2S.C6H13N.6C6H6.C5H8N2.2C5H11NO3S.C5H13NO2S.2C5H5N.C5H6S.15C5H12.C4H5NS.15C2H6.3CH4/c1-11(2)12(3,15-4)9-7-5-6-8-10(9)16(11,13)14;13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;1-11(2)10(14-3)8-6-4-5-7-9(8)15(11,12)13;1-10(2)9(11)7-5-3-4-6-8(7)14(10,12)13;1-11(9,10)7-8-5-3-2-4-6-8;1-6(2)4-7(5-6)10(3,8)9;1-7-5-3-2-4-6-7;6*1-2-4-6-5-3-1;1-5-6-3-4-7(5)2;2*1-10(7,8)6-2-4-9-5-3-6;1-5(2)6(3)9(4,7)8;2*1-2-4-6-5-3-1;1-5-3-2-4-6-5;15*1-5(2,3)4;1-4-5-2-3-6-4;15*1-2;;;/h5-8H,1-4H3;1-8H;4-7,10H,1-3H3;3-6,9,11H,1-2H3;2-6H,7H2,1H3;4-5H2,1-3H3;2-6H2,1H3;6*1-6H;3-4H,1-2H3;2*2-5H2,1H3;5H,1-4H3;2*1-5H;2-4H,1H3;15*1-4H3;2-3H,1H3;15*1-2H3;3*1H4
• InChIKey: BSFOOFCWDMPTLT-UHFFFAOYSA-N
• XLogP: 73.91
• TPSA: 437.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 9
• Heavy Atoms: 292
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4311.26
LogP ≤ 5	73.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine)?

The IUPAC name of benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine) (CID 157446005) is benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine).

What is the SMILES notation for benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine)?

The canonical SMILES for benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine) is C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)N(C)S(C)(=O)=O.CC1(C)C(O)c2ccccc2S1(=O)=O.CC1(C)CN(S(C)(=O)=O)C1.CN1CCCCC1.COC1(C)c2ccccc2S(=O)(=O)C1(C)C.COC1c2ccccc2S(=O)(=O)C1(C)C.CS(=O)(=O)Cc1ccccc1.CS(=O)(=O)N1CCOCC1.CS(=O)(=O)N1CCOCC1.Cc1cccs1.Cc1nccn1C.Cc1nccs1.O=S1(=O)c2ccccc2-c2ccccc21.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccncc1.c1ccncc1.

What is the InChIKey of benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine)?

The InChIKey is BSFOOFCWDMPTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S.C12H8O2S.C11H14O3S.C10H12O3S.C8H10O2S.C6H13NO2S.C6H13N.6C6H6.C5H8N2.2C5H11NO3S.C5H13NO2S.2C5H5N.C5H6S.15C5H12.C4H5NS.15C2H6.3CH4/c1-11(2)12(3,15-4)9-7-5-6-8-10(9)16(11,13)14;13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;1-11(2)10(14-3)8-6-4-5-7-9(8)15(11,12)13;1-10(2)9(11)7-5-3-4-6-8(7)14(10,12)13;1-11(9,10)7-8-5-3-2-4-6-8;1-6(2)4-7(5-6)10(3,8)9;1-7-5-3-2-4-6-7;6*1-2-4-6-5-3-1;1-5-6-3-4-7(5)2;2*1-10(7,8)6-2-4-9-5-3-6;1-5(2)6(3)9(4,7)8;2*1-2-4-6-5-3-1;1-5-3-2-4-6-5;15*1-5(2,3)4;1-4-5-2-3-6-4;15*1-2;;;/h5-8H,1-4H3;1-8H;4-7,10H,1-3H3;3-6,9,11H,1-2H3;2-6H,7H2,1H3;4-5H2,1-3H3;2-6H2,1H3;6*1-6H;3-4H,1-2H3;2*2-5H2,1H3;5H,1-4H3;2*1-5H;2-4H,1H3;15*1-4H3;2-3H,1H3;15*1-2H3;3*1H4.

What are the key properties of benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine)?

benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine) has a molecular weight of 4311.26 g/mol, XLogP of 73.91, 9 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;dibenzothiophene 5,5-dioxide;2,2-dimethyl-1,1-dioxo-3H-1-benzothiophen-3-ol;1,2-dimethylimidazole;3,3-dimethyl-1-methylsulfonylazetidine;pentadecakis(2,2-dimethylpropane);ethane;methane;3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide;3-methoxy-2,2,3-trimethyl-1-benzothiophene 1,1-dioxide;1-methylpiperidine;N-methyl-N-propan-2-ylmethanesulfonamide;methylsulfonylmethylbenzene;bis(4-methylsulfonylmorpholine);2-methyl-1,3-thiazole;2-methylthiophene;bis(pyridine) is sourced from PubChem (CID 157446005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).