N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine

C192H249N29O9S3 — CID 158921868

About N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine

N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine (PubChem CID 158921868) has the molecular formula C192H249N29O9S3 and a molecular weight of 3203.50 g/mol. Its IUPAC name is N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine.

Molecular Properties

• Compound Name: N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine
• PubChem CID: 158921868
• Molecular Formula: C192H249N29O9S3
• Molecular Weight: 3203.50 g/mol
• Exact Mass: 3200.91
• IUPAC Name: N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine
• SMILES: CNS(=O)(=O)c1ccccc1C.Cc1cccc(NC=O)c1.Cc1ccccc1.Cc1ccccc1C#N.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1CN1CCOCC1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(N)c1.Cc1ccncc1C#N.Cc1ccncc1CN.Cc1ccncc1CN(C)C.Cc1ccncc1N.Cc1ccncc1N(C)C.[C-]#[N+]c1cccc(C)c1.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\N)c1ccccc1C
• InChI: InChI=1S/C13H19N.C12H17NO.C12H17N.C10H14N2.C10H15N.C9H14N2.C8H12N2.C8H10N2.C8H11NO2S.2C8H9NO.C8H7N.C8H11N.C8H7N.C8H10O2S.C7H10N2.C7H6N2.C7H9NO2S.2C7H9N.C7H8.2C6H8N2/c1-12-7-3-4-8-13(12)11-14-9-5-2-6-10-14;1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-8-6-4-5-7-9(8)10(11)12(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-8-4-5-10-6-9(8)7-11(2)3;1-7-4-5-9-6-8(7)10(2)3;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)12(10,11)9-2;1-7-3-2-4-8(5-7)9-6-10;1-6-4-2-3-5-7(6)8(9)10;1-7-4-3-5-8(6-7)9-2;2*1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;2*1-6-2-3-9-5-7(6)4-8;1-6-4-2-3-5-7(6)11(8,9)10;2*1-6-3-4-8-7(2)5-6;1-7-5-3-2-4-6-7;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5/h3-4,7-8H,2,5-6,9-11H2,1H3;2-5H,6-10H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;4-7,11H,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;2-5H,1H3,(H3,9,10);3-6,9H,1-2H3;2-6H,1H3,(H,9,10);2-5H,1H3,(H2,9,10);3-6H,1H3;2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;2-3,5H,4,8H2,1H3;2-3,5H,1H3;2-5H,1H3,(H2,8,9,10);2*3-5H,1-2H3;2-6H,1H3;2-4H,7H2,1H3;2-4H,1H3,(H2,7,8)/b;;;11-10-
• InChIKey: JHXVIQMZLMCGLT-VXJUSXGBSA-N
• XLogP: 36.44
• TPSA: 577.43 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3203.50
LogP ≤ 5	36.44
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine?

The IUPAC name of N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine (CID 158921868) is N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine.

What is the SMILES notation for N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine?

The canonical SMILES for N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine is CNS(=O)(=O)c1ccccc1C.Cc1cccc(NC=O)c1.Cc1ccccc1.Cc1ccccc1C#N.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1CN1CCOCC1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(N)c1.Cc1ccncc1C#N.Cc1ccncc1CN.Cc1ccncc1CN(C)C.Cc1ccncc1N.Cc1ccncc1N(C)C.[C-]#[N+]c1cccc(C)c1.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\N)c1ccccc1C.

What is the InChIKey of N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine?

The InChIKey is JHXVIQMZLMCGLT-VXJUSXGBSA-N. The full InChI is InChI=1S/C13H19N.C12H17NO.C12H17N.C10H14N2.C10H15N.C9H14N2.C8H12N2.C8H10N2.C8H11NO2S.2C8H9NO.C8H7N.C8H11N.C8H7N.C8H10O2S.C7H10N2.C7H6N2.C7H9NO2S.2C7H9N.C7H8.2C6H8N2/c1-12-7-3-4-8-13(12)11-14-9-5-2-6-10-14;1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-8-6-4-5-7-9(8)10(11)12(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-8-4-5-10-6-9(8)7-11(2)3;1-7-4-5-9-6-8(7)10(2)3;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)12(10,11)9-2;1-7-3-2-4-8(5-7)9-6-10;1-6-4-2-3-5-7(6)8(9)10;1-7-4-3-5-8(6-7)9-2;2*1-7-4-2-3-5-8(7)6-9;1-7-5-3-4-6-8(7)11(2,9)10;2*1-6-2-3-9-5-7(6)4-8;1-6-4-2-3-5-7(6)11(8,9)10;2*1-6-3-4-8-7(2)5-6;1-7-5-3-2-4-6-7;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5/h3-4,7-8H,2,5-6,9-11H2,1H3;2-5H,6-10H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;4-7,11H,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;2-5H,1H3,(H3,9,10);3-6,9H,1-2H3;2-6H,1H3,(H,9,10);2-5H,1H3,(H2,9,10);3-6H,1H3;2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;2-3,5H,4,8H2,1H3;2-3,5H,1H3;2-5H,1H3,(H2,8,9,10);2*3-5H,1-2H3;2-6H,1H3;2-4H,7H2,1H3;2-4H,1H3,(H2,7,8)/b;;;11-10-;;;;;;;;;;;;;;;;;;;.

What are the key properties of N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine?

N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine has a molecular weight of 3203.50 g/mol, XLogP of 36.44, 22 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;bis(2,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;N-(3-methylphenyl)formamide;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;(4-methyl-3-pyridinyl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-3-amine is sourced from PubChem (CID 158921868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).