N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide

C14H20N2O3S — CID 106791859

IUPACN'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide
SMILESCOc1cc(CSCC2CCCO2)ccc1/C(N)=N/O
InChIInChI=1S/C14H20N2O3S/c1-18-13-7-10(4-5-12(13)14(15)16-17)8-20-9-11-3-2-6-19-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H2,15,16)
InChIKeyLDULZXKMTDCLBJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.20
Rot. Bonds6

About N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide

N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide (PubChem CID 106791859) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide
PubChem CID106791859
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide
SMILESCOc1cc(CSCC2CCCO2)ccc1/C(N)=N/O
InChIInChI=1S/C14H20N2O3S/c1-18-13-7-10(4-5-12(13)14(15)16-17)8-20-9-11-3-2-6-19-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H2,15,16)
InChIKeyLDULZXKMTDCLBJ-UHFFFAOYSA-N
XLogP2.20
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide 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

4-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106791816
N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
CID 77066016
4-[[cyclobutyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790084
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507
N'-hydroxy-2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]benzenecarboximidamide
CID 106789382
N'-hydroxy-2-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]benzenecarboximidamide
CID 106789335
N'-hydroxy-2-methoxy-4-(oxan-4-ylmethoxymethyl)benzenecarboximidamide
CID 106790406
2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)aniline
CID 106494229
4-[(3-fluorophenyl)sulfanylmethyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106791844
5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065983
4-[[cyclobutylmethyl(methyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789379
N'-hydroxy-2-methoxy-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 106789290

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide (CID 106791859) is N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide is COc1cc(CSCC2CCCO2)ccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide?
The InChIKey is LDULZXKMTDCLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-18-13-7-10(4-5-12(13)14(15)16-17)8-20-9-11-3-2-6-19-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide?
N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide has a molecular weight of 296.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide is sourced from PubChem (CID 106791859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).