methyl N'-(2,2-diphenylpropyl)carbamimidothioate

C17H20N2S — CID 24776191

IUPACmethyl N'-(2,2-diphenylpropyl)carbamimidothioate
SMILESCS/C(N)=N\CC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2S/c1-17(13-19-16(18)20-2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H2,18,19)
InChIKeyOINXKJUSSMMXFE-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.67
Rot. Bonds4

About methyl N'-(2,2-diphenylpropyl)carbamimidothioate

methyl N'-(2,2-diphenylpropyl)carbamimidothioate (PubChem CID 24776191) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is methyl N'-(2,2-diphenylpropyl)carbamimidothioate.

Molecular Properties

Compound Namemethyl N'-(2,2-diphenylpropyl)carbamimidothioate
PubChem CID24776191
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Namemethyl N'-(2,2-diphenylpropyl)carbamimidothioate
SMILESCS/C(N)=N\CC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2S/c1-17(13-19-16(18)20-2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H2,18,19)
InChIKeyOINXKJUSSMMXFE-UHFFFAOYSA-N
XLogP3.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-2-methylsulfanylpropyl)-1-phenylguanidine
CID 111478633
[amino(methylsulfanyl)methylidene]-[3-(4-fluorophenyl)-3-phenylbutyl]azanium iodide
CID 19861130
2-(2-methyl-2-phenylpropyl)-1-propan-2-ylguanidine
CID 62363532
2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide
CID 75494302
2-(2-methoxy-2-methylpropyl)-1-phenylguanidine
CID 111465545
1-cyclopropyl-2-(2-hydroxy-2-phenylpropyl)-1-methylguanidine;hydroiodide
CID 110031488
[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene
CID 23018909
N'-amino-2-methyl-2-phenylpropanimidamide
CID 61363326
2-methyl-1-(methyl-λ3-iodanylidene)-2-phenylpropan-1-amine
CID 165013619
1,3-bis(2-phenylbutan-2-yl)benzene;methane
CID 144908035
methyl N'-(2-phenylethylideneamino)carbamimidothioate
CID 158206951
1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110912213

Frequently Asked Questions

What is the IUPAC name of methyl N'-(2,2-diphenylpropyl)carbamimidothioate?
The IUPAC name of methyl N'-(2,2-diphenylpropyl)carbamimidothioate (CID 24776191) is methyl N'-(2,2-diphenylpropyl)carbamimidothioate.
What is the SMILES notation for methyl N'-(2,2-diphenylpropyl)carbamimidothioate?
The canonical SMILES for methyl N'-(2,2-diphenylpropyl)carbamimidothioate is CS/C(N)=N\CC(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N'-(2,2-diphenylpropyl)carbamimidothioate?
The InChIKey is OINXKJUSSMMXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-17(13-19-16(18)20-2,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H2,18,19).
What are the key properties of methyl N'-(2,2-diphenylpropyl)carbamimidothioate?
methyl N'-(2,2-diphenylpropyl)carbamimidothioate has a molecular weight of 284.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(2,2-diphenylpropyl)carbamimidothioate is sourced from PubChem (CID 24776191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).