4-benzhydrylsulfanyl-N'-hydroxybutanimidamide

C17H20N2OS — CID 22758880

IUPAC4-benzhydrylsulfanyl-N'-hydroxybutanimidamide
SMILESN/C(CCCSC(c1ccccc1)c1ccccc1)=N\O
InChIInChI=1S/C17H20N2OS/c18-16(19-20)12-7-13-21-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17,20H,7,12-13H2,(H2,18,19)
InChIKeyARMFRAZZCHYKLO-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.04
Rot. Bonds7

About 4-benzhydrylsulfanyl-N'-hydroxybutanimidamide

4-benzhydrylsulfanyl-N'-hydroxybutanimidamide (PubChem CID 22758880) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-benzhydrylsulfanyl-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-benzhydrylsulfanyl-N'-hydroxybutanimidamide
PubChem CID22758880
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name4-benzhydrylsulfanyl-N'-hydroxybutanimidamide
SMILESN/C(CCCSC(c1ccccc1)c1ccccc1)=N\O
InChIInChI=1S/C17H20N2OS/c18-16(19-20)12-7-13-21-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17,20H,7,12-13H2,(H2,18,19)
InChIKeyARMFRAZZCHYKLO-UHFFFAOYSA-N
XLogP4.04
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

N-Hydroxy-3,3-diphenylpropionamidine
CID 101895
N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide
CID 3088332
N-[(2S,6R)-2,6-diphenylthian-4-ylidene]hydroxylamine
CID 12749491
N'-hydroxy-3,3-diphenylpropanimidamide
CID 5484458
N'-hydroxy-3,3-diphenylpropanimidamide
CID 9576178
2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide
CID 72821383
2-[Bis(4-fluorophenyl)methylsulfanyl]ethanimidamide
CID 132198210
(NE)-N-(2-benzhydrylidenethiepan-3-ylidene)hydroxylamine
CID 139095901
2-[(2-fluorophenyl)-bis(4-fluorophenyl)methyl]sulfanyl-N'-hydroxyethanimidamide
CID 11373021
3-(4-fluorophenyl)sulfanyl-N'-hydroxy-3-phenylpropanimidamide
CID 76949034
3-(3,4-difluorophenyl)sulfanyl-N'-hydroxy-3-phenylpropanimidamide
CID 76949039
3-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-3-phenylpropanimidamide
CID 76949089

Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylsulfanyl-N'-hydroxybutanimidamide?
The IUPAC name of 4-benzhydrylsulfanyl-N'-hydroxybutanimidamide (CID 22758880) is 4-benzhydrylsulfanyl-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-benzhydrylsulfanyl-N'-hydroxybutanimidamide?
The canonical SMILES for 4-benzhydrylsulfanyl-N'-hydroxybutanimidamide is N/C(CCCSC(c1ccccc1)c1ccccc1)=N\O.
What is the InChIKey of 4-benzhydrylsulfanyl-N'-hydroxybutanimidamide?
The InChIKey is ARMFRAZZCHYKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c18-16(19-20)12-7-13-21-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17,20H,7,12-13H2,(H2,18,19).
What are the key properties of 4-benzhydrylsulfanyl-N'-hydroxybutanimidamide?
4-benzhydrylsulfanyl-N'-hydroxybutanimidamide has a molecular weight of 300.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylsulfanyl-N'-hydroxybutanimidamide is sourced from PubChem (CID 22758880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).