2-benzhydrylsulfinylethanimidamide

C15H16N2OS — CID 151481044

IUPAC2-benzhydrylsulfinylethanimidamide
SMILES[H]/N=C(\N)CS(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H3,16,17)
InChIKeyPMLZPSCHKMWALN-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.46
Rot. Bonds5

About 2-benzhydrylsulfinylethanimidamide

2-benzhydrylsulfinylethanimidamide (PubChem CID 151481044) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-benzhydrylsulfinylethanimidamide.

Molecular Properties

Compound Name2-benzhydrylsulfinylethanimidamide
PubChem CID151481044
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-benzhydrylsulfinylethanimidamide
SMILES[H]/N=C(\N)CS(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H3,16,17)
InChIKeyPMLZPSCHKMWALN-UHFFFAOYSA-N
XLogP2.46
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.46
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'}

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Related Compounds

2-(Diphenylmethanesulfinyl)ethan-1-amine
CID 13267785
Benzhydryl carbamimidothioate
CID 220443
2-[Bis(4-fluorophenyl)methylsulfanyl]ethanimidamide
CID 132198210
Benzylthiopropionamidine hydrochloride
CID 129779394
2-[[3-(Trifluoromethyl)phenyl]methylsulfonyl]ethanimidamide
CID 45790869
2-[(4-Fluorophenyl)methylsulfonyl]ethanimidamide
CID 46779089
2-[(2-Fluorophenyl)methylsulfonyl]ethanimidamide
CID 46779090
2-[(3-Fluorophenyl)methylsulfonyl]ethanimidamide
CID 46779091
Benzhydryl ethanimidothioate
CID 11163037
2-(Benzylsulfanyl)ethanimidamide hydrochloride
CID 18967940
2-(Benzylthio)acetamidine
CID 18967941
[Amino(benzhydrylsulfanyl)methylidene]azanium
CID 20771373

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfinylethanimidamide?
The IUPAC name of 2-benzhydrylsulfinylethanimidamide (CID 151481044) is 2-benzhydrylsulfinylethanimidamide.
What is the SMILES notation for 2-benzhydrylsulfinylethanimidamide?
The canonical SMILES for 2-benzhydrylsulfinylethanimidamide is [H]/N=C(\N)CS(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylsulfinylethanimidamide?
The InChIKey is PMLZPSCHKMWALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H3,16,17).
What are the key properties of 2-benzhydrylsulfinylethanimidamide?
2-benzhydrylsulfinylethanimidamide has a molecular weight of 272.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfinylethanimidamide is sourced from PubChem (CID 151481044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).