N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide

C9H13N3OS — CID 107645075

IUPACN'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide
SMILESCSc1ccccc1NC/C(N)=N/O
InChIInChI=1S/C9H13N3OS/c1-14-8-5-3-2-4-7(8)11-6-9(10)12-13/h2-5,11,13H,6H2,1H3,(H2,10,12)
InChIKeySGZSPWFAZYAHMR-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.57
Rot. Bonds4

About N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide

N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide (PubChem CID 107645075) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide
PubChem CID107645075
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide
SMILESCSc1ccccc1NC/C(N)=N/O
InChIInChI=1S/C9H13N3OS/c1-14-8-5-3-2-4-7(8)11-6-9(10)12-13/h2-5,11,13H,6H2,1H3,(H2,10,12)
InChIKeySGZSPWFAZYAHMR-UHFFFAOYSA-N
XLogP1.57
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N'-hydroxy-4-[(2-methylsulfanylanilino)methyl]pyridine-2-carboximidamide
CID 136759655
N'-hydroxy-3-[(2-methylsulfanylanilino)methyl]benzenecarboximidamide
CID 107645067
N-benzyl-2-(2-methylsulfanylanilino)acetamide
CID 51252968
N'-(2-methylsulfanylphenyl)ethane-1,2-diamine;oxalic acid
CID 71367834
N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline
CID 43229992
N-(2-methylsulfanylphenyl)hydroxylamine
CID 166768546
N'-hydroxy-2-(4-methylanilino)ethanimidamide
CID 20542821
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(2-methylsulfanylphenyl)butanamide
CID 107645748
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-methylsulfanylaniline
CID 103604907
N-(furan-2-ylmethyl)-2-methylsulfanylaniline
CID 43683353
2-methylsulfanyl-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755411
1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644664

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide (CID 107645075) is N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide is CSc1ccccc1NC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide?
The InChIKey is SGZSPWFAZYAHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-14-8-5-3-2-4-7(8)11-6-9(10)12-13/h2-5,11,13H,6H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide?
N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide has a molecular weight of 211.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-methylsulfanylanilino)ethanimidamide is sourced from PubChem (CID 107645075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).