N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide

C13H20N2OS — CID 77063342

IUPACN'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
SMILESCC(C)(CCCSc1ccccc1)C(N)=NO
InChIInChI=1S/C13H20N2OS/c1-13(2,12(14)15-16)9-6-10-17-11-7-4-3-5-8-11/h3-5,7-8,16H,6,9-10H2,1-2H3,(H2,14,15)
InChIKeyNCLHHEOFYZXCSM-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.33
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide

N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide (PubChem CID 77063342) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
PubChem CID77063342
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide
SMILESCC(C)(CCCSc1ccccc1)C(N)=NO
InChIInChI=1S/C13H20N2OS/c1-13(2,12(14)15-16)9-6-10-17-11-7-4-3-5-8-11/h3-5,7-8,16H,6,9-10H2,1-2H3,(H2,14,15)
InChIKeyNCLHHEOFYZXCSM-UHFFFAOYSA-N
XLogP3.33
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.33
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'}

Analyze N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-2,2-dimethyl-5-naphthalen-2-ylsulfanylpentanimidamide
CID 77063369
N'-hydroxy-2,2-dimethyl-5-pyrimidin-2-ylsulfanylpentanimidamide
CID 77063459
N'-hydroxy-2,2-dimethyl-5-pyrimidin-4-ylsulfanylpentanimidamide
CID 77064204
2,2-dimethyl-4-phenylsulfanylbutanamide
CID 142130509
N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
CID 77063059
N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
CID 77062131
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
4-(2-chlorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062349
6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106712686
5-[(4-chlorophenyl)methylsulfanyl]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114790479
N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide
CID 77063981

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide (CID 77063342) is N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide is CC(C)(CCCSc1ccccc1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide?
The InChIKey is NCLHHEOFYZXCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2,12(14)15-16)9-6-10-17-11-7-4-3-5-8-11/h3-5,7-8,16H,6,9-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide?
N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide has a molecular weight of 252.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-phenylsulfanylpentanimidamide is sourced from PubChem (CID 77063342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).