1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene

C19H24N2S — CID 176557198

IUPAC1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene
SMILESC/C(=N/NSc1ccc(C)cc1)c1c(C)cccc1C(C)C
InChIInChI=1S/C19H24N2S/c1-13(2)18-8-6-7-15(4)19(18)16(5)20-21-22-17-11-9-14(3)10-12-17/h6-13,21H,1-5H3/b20-16-
InChIKeyTYSLYUGTHXSDJJ-SILNSSARSA-N
MW312.48 g/mol
LogP5.45
Rot. Bonds5

About 1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene

1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene (PubChem CID 176557198) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene
PubChem CID176557198
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene
SMILESC/C(=N/NSc1ccc(C)cc1)c1c(C)cccc1C(C)C
InChIInChI=1S/C19H24N2S/c1-13(2)18-8-6-7-15(4)19(18)16(5)20-21-22-17-11-9-14(3)10-12-17/h6-13,21H,1-5H3/b20-16-
InChIKeyTYSLYUGTHXSDJJ-SILNSSARSA-N
XLogP5.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]benzene
CID 170607608
ethane;methyl 2-methyl-6-propan-2-ylbenzoate
CID 144651677
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
N-[(E)-1-(2-ethyl-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide
CID 170607634
bis(1-methyl-2-propan-2-ylbenzene);toluene
CID 162261210
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2-xylene
CID 159734300
N-[(Z)-1-(2-chloro-6-methylphenyl)ethylideneamino]-4-methylbenzenesulfinamide;ethane;propane
CID 170607588
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene?
The IUPAC name of 1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene (CID 176557198) is 1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene is C/C(=N/NSc1ccc(C)cc1)c1c(C)cccc1C(C)C.
What is the InChIKey of 1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene?
The InChIKey is TYSLYUGTHXSDJJ-SILNSSARSA-N. The full InChI is InChI=1S/C19H24N2S/c1-13(2)18-8-6-7-15(4)19(18)16(5)20-21-22-17-11-9-14(3)10-12-17/h6-13,21H,1-5H3/b20-16-.
What are the key properties of 1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene?
1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene has a molecular weight of 312.48 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(Z)-C-methyl-N-[(4-methylphenyl)sulfanylamino]carbonimidoyl]-3-propan-2-ylbenzene is sourced from PubChem (CID 176557198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).