N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide

C13H20N2O3S — CID 77112421

IUPACN'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide
SMILESCC(CCO)SCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(6-7-16)19-9-8-18-12-4-2-11(3-5-12)13(14)15-17/h2-5,10,16-17H,6-9H2,1H3,(H2,14,15)
InChIKeyRHBYTTCIUGIEKZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.66
Rot. Bonds8

About N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide

N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide (PubChem CID 77112421) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide
PubChem CID77112421
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide
SMILESCC(CCO)SCCOc1ccc(C(N)=NO)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(6-7-16)19-9-8-18-12-4-2-11(3-5-12)13(14)15-17/h2-5,10,16-17H,6-9H2,1H3,(H2,14,15)
InChIKeyRHBYTTCIUGIEKZ-UHFFFAOYSA-N
XLogP1.66
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]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-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 61300990
N'-hydroxy-4-[2-(3-methylbutylamino)ethoxy]benzenecarboximidamide
CID 77025462
N'-hydroxy-4-[2-(1-methoxypropan-2-yloxy)ethoxy]benzenecarboximidamide
CID 77015867
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
4-[2-(4-aminobutan-2-ylsulfanyl)ethoxy]benzohydrazide
CID 66225349
N'-hydroxy-4-[2-(1-hydroxybutan-2-ylamino)ethoxy]benzenecarboximidamide
CID 77028997
4-[6-[3,5-bis[6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]hexoxy]phenoxy]hexoxy]-N'-hydroxybenzenecarboximidamide;ethane
CID 142380100
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
N'-hydroxy-4-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]benzenecarboximidamide
CID 82939708

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide (CID 77112421) is N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide is CC(CCO)SCCOc1ccc(C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide?
The InChIKey is RHBYTTCIUGIEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(6-7-16)19-9-8-18-12-4-2-11(3-5-12)13(14)15-17/h2-5,10,16-17H,6-9H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide?
N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide has a molecular weight of 284.38 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(4-hydroxybutan-2-ylsulfanyl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 77112421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).