3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride

C16H19ClN2O2S — CID 22758898

IUPAC3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride
SMILESCl.N/C(CCS(=O)C(c1ccccc1)c1ccccc1)=N\O
InChIInChI=1S/C16H18N2O2S.ClH/c17-15(18-19)11-12-21(20)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,16,19H,11-12H2,(H2,17,18);1H
InChIKeyDRZKODULFIZHFC-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.08
Rot. Bonds6

About 3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride

3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride (PubChem CID 22758898) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride.

Molecular Properties

Compound Name3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride
PubChem CID22758898
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride
SMILESCl.N/C(CCS(=O)C(c1ccccc1)c1ccccc1)=N\O
InChIInChI=1S/C16H18N2O2S.ClH/c17-15(18-19)11-12-21(20)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,16,19H,11-12H2,(H2,17,18);1H
InChIKeyDRZKODULFIZHFC-UHFFFAOYSA-N
XLogP3.08
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-Fluorobenzylsulphonyl)acetamidoxime
CID 9580386
CID 5702875
CID 5702875
2-[(4-fluorophenyl)methylsulfonyl]-N'-hydroxyethanimidamide
CID 2737285
2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide
CID 72821383
2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide
CID 11373021
2-(Phenylsulfinyl)phenylacetamide oxime
CID 9602050
4-benzhydrylsulfanyl-N'-hydroxybutanimidamide
CID 22758880
2-benzhydrylsulfinyl-N'-hydroxyethanimidamide;hydrochloride
CID 22758888
4-benzhydrylsulfinyl-N'-hydroxybutanimidamide;hydrochloride
CID 22758890
3-benzhydrylsulfanyl-N'-hydroxypropanimidamide;hydrochloride
CID 22758893
3-benzhydrylsulfanyl-N'-hydroxypropanimidamide
CID 22758894
4-benzhydrylsulfanyl-N'-hydroxybutanimidamide
CID 53658374

Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride?
The IUPAC name of 3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride (CID 22758898) is 3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride.
What is the SMILES notation for 3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride?
The canonical SMILES for 3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride is Cl.N/C(CCS(=O)C(c1ccccc1)c1ccccc1)=N\O.
What is the InChIKey of 3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride?
The InChIKey is DRZKODULFIZHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S.ClH/c17-15(18-19)11-12-21(20)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-10,16,19H,11-12H2,(H2,17,18);1H.
What are the key properties of 3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride?
3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride has a molecular weight of 338.86 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylsulfinyl-N'-hydroxypropanimidamide;hydrochloride is sourced from PubChem (CID 22758898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).