4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide

C11H16N2OS — CID 114484067

IUPAC4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCSCc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C11H16N2OS/c1-3-15-7-10-5-4-9(6-8(10)2)11(12)13-14/h4-6,14H,3,7H2,1-2H3,(H2,12,13)
InChIKeyIVSMGQPZZOZFHV-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.34
Rot. Bonds4

About 4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide

4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 114484067) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID114484067
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCSCc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C11H16N2OS/c1-3-15-7-10-5-4-9(6-8(10)2)11(12)13-14/h4-6,14H,3,7H2,1-2H3,(H2,12,13)
InChIKeyIVSMGQPZZOZFHV-UHFFFAOYSA-N
XLogP2.34
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.34
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'}

Analyze 4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide 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-4-(1-hydroxypropan-2-ylsulfanylmethyl)-3-methylbenzenecarboximidamide
CID 114484122
4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114484073
N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
CID 114483267
N'-hydroxy-3-methyl-4-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107780335
4-(azidomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 154501666
4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114484111
tert-butyl N-[[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methylphenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 177190571
4-(butylsulfanylmethyl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43615816
N'-hydroxy-3-methyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 114482615
N'-hydroxy-3-methyl-4-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide
CID 114483234
4-[(4-ethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483245
4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482639

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide (CID 114484067) is 4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide is CCSCc1ccc(/C(N)=N/O)cc1C.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is IVSMGQPZZOZFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-15-7-10-5-4-9(6-8(10)2)11(12)13-14/h4-6,14H,3,7H2,1-2H3,(H2,12,13).
What are the key properties of 4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide?
4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 224.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114484067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).