N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine

C239H313N47O14S5 — CID 158056505

IUPACN,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine
SMILESCNS(=O)(=O)c1ccccc1C.Cc1cccc(CON)c1.Cc1ccccc1.Cc1ccccc1C#N.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1CN1CCOCC1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1cccnn1.Cc1ccnc(C)c1.Cc1ccnc(CN)n1.Cc1ccnc(N(C)C)c1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1C#N.Cc1ccncc1C(N)=O.Cc1ccncc1CN.Cc1ccncc1CN(C)C.Cc1ccncc1N.Cc1ccncc1N(C)C.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ccnnc1.[C-]#[N+]c1cccc(C)c1.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\N)c1ccccc1C
InChIInChI=1S/C13H19N.C12H17NO.C12H17N.C10H14N2.C10H15N.C9H14N2.2C8H12N2.C8H10N2.C8H11NO2S.C8H11NO.C8H9NO.C8H7N.C8H11N.C8H7N.C8H10O2S.C7H8N2O.C7H10N2.C7H6N2.2C7H9NO2S.C7H9N.C7H8.C6H9N3.C6H8N2O2S.2C6H8N2.C5H7N3.3C5H6N2/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;1-7-4-5-9-8(6-7)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)6-10-9;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;1-5-2-3-9-4-6(5)7(8)10;2*1-6-2-3-9-5-7(6)4-8;1-6-3-4-8-5-7(6)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-8-7(2)5-6;1-7-5-3-2-4-6-7;1-5-2-3-8-6(4-7)9-5;1-5-2-3-8-4-6(5)11(7,9)10;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-3-2-4-6-7-5/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;2*4-6H,1-3H3;2-5H,1H3,(H3,9,10);3-6,9H,1-2H3;2-5H,6,9H2,1H3;2-5H,1H3,(H2,9,10);3-6H,1H3;2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;2-4H,1H3,(H2,8,10);2-3,5H,4,8H2,1H3;2-3,5H,1H3;3-5H,1-2H3;2-5H,1H3,(H2,8,9,10);3-5H,1-2H3;2-6H,1H3;2-3H,4,7H2,1H3;2-4H,1H3,(H2,7,9,10);2-4H,7H2,1H3;2-4H,1H3,(H2,7,8);2-3H,1H3,(H2,6,7,8);3*2-4H,1H3/b;;;11-10-;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFKCSFSHYJILYLO-VAOMBYBTSA-N
MW4228.78 g/mol
LogP40.30
Rot. Bonds27

About N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;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;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine (PubChem CID 158056505) has the molecular formula C239H313N47O14S5 and a molecular weight of 4228.78 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;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine.

Molecular Properties

Compound NameN,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine
PubChem CID158056505
Molecular FormulaC239H313N47O14S5
Molecular Weight4228.78 g/mol
Exact Mass4225.38
IUPAC NameN,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine
SMILESCNS(=O)(=O)c1ccccc1C.Cc1cccc(CON)c1.Cc1ccccc1.Cc1ccccc1C#N.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1CN1CCOCC1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1cccnn1.Cc1ccnc(C)c1.Cc1ccnc(CN)n1.Cc1ccnc(N(C)C)c1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1C#N.Cc1ccncc1C(N)=O.Cc1ccncc1CN.Cc1ccncc1CN(C)C.Cc1ccncc1N.Cc1ccncc1N(C)C.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ccnnc1.[C-]#[N+]c1cccc(C)c1.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\N)c1ccccc1C
InChIInChI=1S/C13H19N.C12H17NO.C12H17N.C10H14N2.C10H15N.C9H14N2.2C8H12N2.C8H10N2.C8H11NO2S.C8H11NO.C8H9NO.C8H7N.C8H11N.C8H7N.C8H10O2S.C7H8N2O.C7H10N2.C7H6N2.2C7H9NO2S.C7H9N.C7H8.C6H9N3.C6H8N2O2S.2C6H8N2.C5H7N3.3C5H6N2/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;1-7-4-5-9-8(6-7)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)6-10-9;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;1-5-2-3-9-4-6(5)7(8)10;2*1-6-2-3-9-5-7(6)4-8;1-6-3-4-8-5-7(6)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-8-7(2)5-6;1-7-5-3-2-4-6-7;1-5-2-3-8-6(4-7)9-5;1-5-2-3-8-4-6(5)11(7,9)10;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-3-2-4-6-7-5/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;2*4-6H,1-3H3;2-5H,1H3,(H3,9,10);3-6,9H,1-2H3;2-5H,6,9H2,1H3;2-5H,1H3,(H2,9,10);3-6H,1H3;2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;2-4H,1H3,(H2,8,10);2-3,5H,4,8H2,1H3;2-3,5H,1H3;3-5H,1-2H3;2-5H,1H3,(H2,8,9,10);3-5H,1-2H3;2-6H,1H3;2-3H,4,7H2,1H3;2-4H,1H3,(H2,7,9,10);2-4H,7H2,1H3;2-4H,1H3,(H2,7,8);2-3H,1H3,(H2,6,7,8);3*2-4H,1H3/b;;;11-10-;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFKCSFSHYJILYLO-VAOMBYBTSA-N
XLogP40.30
TPSA943.82 Ų
H-Bond Donors15
H-Bond Acceptors53
Rotatable Bonds27
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004228.78
LogP ≤ 540.30
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine with MolForge

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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;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;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;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine (CID 158056505) is N,2-dimethylbenzenesulfonamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;N,N-dimethyl-1-(4-methyl-3-pyridinyl)methanamine;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;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;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;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;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine is CNS(=O)(=O)c1ccccc1C.Cc1cccc(CON)c1.Cc1ccccc1.Cc1ccccc1C#N.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN(C)C.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1CN1CCOCC1.Cc1ccccc1S(C)(=O)=O.Cc1ccccc1S(N)(=O)=O.Cc1cccnn1.Cc1ccnc(C)c1.Cc1ccnc(CN)n1.Cc1ccnc(N(C)C)c1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1C#N.Cc1ccncc1C(N)=O.Cc1ccncc1CN.Cc1ccncc1CN(C)C.Cc1ccncc1N.Cc1ccncc1N(C)C.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ccnnc1.[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;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine?
The InChIKey is FKCSFSHYJILYLO-VAOMBYBTSA-N. The full InChI is InChI=1S/C13H19N.C12H17NO.C12H17N.C10H14N2.C10H15N.C9H14N2.2C8H12N2.C8H10N2.C8H11NO2S.C8H11NO.C8H9NO.C8H7N.C8H11N.C8H7N.C8H10O2S.C7H8N2O.C7H10N2.C7H6N2.2C7H9NO2S.C7H9N.C7H8.C6H9N3.C6H8N2O2S.2C6H8N2.C5H7N3.3C5H6N2/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;1-7-4-5-9-8(6-7)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)6-10-9;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;1-5-2-3-9-4-6(5)7(8)10;2*1-6-2-3-9-5-7(6)4-8;1-6-3-4-8-5-7(6)11(2,9)10;1-6-4-2-3-5-7(6)11(8,9)10;1-6-3-4-8-7(2)5-6;1-7-5-3-2-4-6-7;1-5-2-3-8-6(4-7)9-5;1-5-2-3-8-4-6(5)11(7,9)10;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-3-2-4-6-7-5/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;2*4-6H,1-3H3;2-5H,1H3,(H3,9,10);3-6,9H,1-2H3;2-5H,6,9H2,1H3;2-5H,1H3,(H2,9,10);3-6H,1H3;2-5H,6,9H2,1H3;2-5H,1H3;3-6H,1-2H3;2-4H,1H3,(H2,8,10);2-3,5H,4,8H2,1H3;2-3,5H,1H3;3-5H,1-2H3;2-5H,1H3,(H2,8,9,10);3-5H,1-2H3;2-6H,1H3;2-3H,4,7H2,1H3;2-4H,1H3,(H2,7,9,10);2-4H,7H2,1H3;2-4H,1H3,(H2,7,8);2-3H,1H3,(H2,6,7,8);3*2-4H,1H3/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;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;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;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine has a molecular weight of 4228.78 g/mol, XLogP of 40.30, 27 rotatable bonds, 15 hydrogen bond donors, and 53 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;2,4-dimethylpyridine;1-isocyano-3-methylbenzene;2-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;(2-methylphenyl)methanamine;O-[(3-methylphenyl)methyl]hydroxylamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;3-methylpyridazine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;N,N,2-trimethylbenzenecarboximidamide;N,N,4-trimethylpyridin-2-amine;N,N,4-trimethylpyridin-3-amine is sourced from PubChem (CID 158056505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).