cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one)

C147H268N18O7S — CID 161416728

About cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one)

cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one) (PubChem CID 161416728) has the molecular formula C147H268N18O7S and a molecular weight of 2431.95 g/mol. Its IUPAC name is cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one).

Molecular Properties

• Compound Name: cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one)
• PubChem CID: 161416728
• Molecular Formula: C147H268N18O7S
• Molecular Weight: 2431.95 g/mol
• Exact Mass: 2430.09
• IUPAC Name: cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one)
• SMILES: C.C.C.C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)N(C)C.CC(C)N1CCCC1=O.CC(C)N1CCCC1=O.CC(C)N1CCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(=O)c2ccccc2)CC1.CC(C)N1CCN(C(=O)c2ccccc2)C[C@H]1C.CC(C)S(=O)(=O)NC1CC1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccc1
• InChI: InChI=1S/C15H22N2O.C14H20N2O.2C9H12.C8H11N.2C8H17N.C8H11N.3C7H13NO.C7H11N.2C6H10N2.C6H13NO2S.C5H13N.3C4H10.5CH4/c1-12(2)17-10-9-16(11-13(17)3)15(18)14-7-5-4-6-8-14;1-12(2)15-8-10-16(11-9-15)14(17)13-6-4-3-5-7-13;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;3*1-6(2)8-5-3-4-7(8)9;1-7(2)8-5-3-4-6-8;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)10(8,9)7-6-3-4-6;1-5(2)6(3)4;3*1-4(2)3;;;;;/h4-8,12-13H,9-11H2,1-3H3;3-7,12H,8-11H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;2*8H,3-7H2,1-2H3;3-7H,1-2H3;3*6H,3-5H2,1-2H3;3-7H,1-2H3;2*3-5H,1-2H3,(H,7,8);5-7H,3-4H2,1-2H3;5H,1-4H3;3*4H,1-3H3;5*1H4/t13-;;;;;;;;;;;;;;;;;;;;;;;/m1......................./s1
• InChIKey: VWEINDAJUOGNNH-ISFZERRTSA-N
• XLogP: 35.67
• TPSA: 251.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2431.95
LogP ≤ 5	35.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one)?

The IUPAC name of cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one) (CID 161416728) is cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one).

What is the SMILES notation for cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one)?

The canonical SMILES for cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one) is C.C.C.C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)N(C)C.CC(C)N1CCCC1=O.CC(C)N1CCCC1=O.CC(C)N1CCCC1=O.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(=O)c2ccccc2)CC1.CC(C)N1CCN(C(=O)c2ccccc2)C[C@H]1C.CC(C)S(=O)(=O)NC1CC1.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccc1.

What is the InChIKey of cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one)?

The InChIKey is VWEINDAJUOGNNH-ISFZERRTSA-N. The full InChI is InChI=1S/C15H22N2O.C14H20N2O.2C9H12.C8H11N.2C8H17N.C8H11N.3C7H13NO.C7H11N.2C6H10N2.C6H13NO2S.C5H13N.3C4H10.5CH4/c1-12(2)17-10-9-16(11-13(17)3)15(18)14-7-5-4-6-8-14;1-12(2)15-8-10-16(11-9-15)14(17)13-6-4-3-5-7-13;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;3*1-6(2)8-5-3-4-7(8)9;1-7(2)8-5-3-4-6-8;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)10(8,9)7-6-3-4-6;1-5(2)6(3)4;3*1-4(2)3;;;;;/h4-8,12-13H,9-11H2,1-3H3;3-7,12H,8-11H2,1-2H3;2*3-8H,1-2H3;3-7H,1-2H3;2*8H,3-7H2,1-2H3;3-7H,1-2H3;3*6H,3-5H2,1-2H3;3-7H,1-2H3;2*3-5H,1-2H3,(H,7,8);5-7H,3-4H2,1-2H3;5H,1-4H3;3*4H,1-3H3;5*1H4/t13-;;;;;;;;;;;;;;;;;;;;;;;/m1......................./s1.

What are the key properties of cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one)?

cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one) has a molecular weight of 2431.95 g/mol, XLogP of 35.67, 20 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;N-cyclopropylpropane-2-sulfonamide;N,N-dimethylpropan-2-amine;methane;tris(2-methylpropane);[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-phenylmethanone;phenyl-(4-propan-2-ylpiperazin-1-yl)methanone;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrole;tris(1-propan-2-ylpyrrolidin-2-one) is sourced from PubChem (CID 161416728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).