3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride

C15H17ClN2S — CID 22758884

IUPAC3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride
SMILESCl.N/C(CC(c1ccccc1)c1ccccc1)=N\S
InChIInChI=1S/C15H16N2S.ClH/c16-15(17-18)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14,18H,11H2,(H2,16,17);1H
InChIKeyJHGOGKSQFPQIJZ-UHFFFAOYSA-N
MW292.84 g/mol
LogP3.83
Rot. Bonds4

About 3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride

3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride (PubChem CID 22758884) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride.

Molecular Properties

Compound Name3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride
PubChem CID22758884
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride
SMILESCl.N/C(CC(c1ccccc1)c1ccccc1)=N\S
InChIInChI=1S/C15H16N2S.ClH/c16-15(17-18)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14,18H,11H2,(H2,16,17);1H
InChIKeyJHGOGKSQFPQIJZ-UHFFFAOYSA-N
XLogP3.83
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,3-diphenylpropanoyl)hydrazinyl]-2-oxoacetamide
CID 3469125
3,3-diphenyl-1-sulfinylpropan-1-ol
CID 141113037
2-(3,3-diphenylpropanoylamino)propanediamide
CID 31062875
3-hydroxy-5,5-diphenylpentanethioamide
CID 139816994
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
1-chloro-3-piperidin-1-ylpropan-2-ol;N'-(2-hydroxy-3-piperidin-1-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
CID 173436955
2-phenyl-2-sulfanylacetamide
CID 19419425
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
(3,3-diphenylpropanoylamino) propanoate
CID 174383570
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150
N-methyl-3,3-diphenylpropanamide
CID 3373592
2-hydroxy-2-phenylacetamide;hydrochloride
CID 67718904

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride?
The IUPAC name of 3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride (CID 22758884) is 3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride.
What is the SMILES notation for 3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride?
The canonical SMILES for 3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride is Cl.N/C(CC(c1ccccc1)c1ccccc1)=N\S.
What is the InChIKey of 3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride?
The InChIKey is JHGOGKSQFPQIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S.ClH/c16-15(17-18)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14,18H,11H2,(H2,16,17);1H.
What are the key properties of 3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride?
3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride has a molecular weight of 292.84 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N'-sulfanylpropanimidamide;hydrochloride is sourced from PubChem (CID 22758884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).