N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide

C11H25N3O4S — CID 106725354

IUPACN'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H25N3O4S/c1-10(2)19(16,17)9-7-14(6-8-18-3)5-4-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyWUAJXAHWNCJADD-UHFFFAOYSA-N
MW295.41 g/mol
LogP-0.11
Rot. Bonds10

About N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide (PubChem CID 106725354) has the molecular formula C11H25N3O4S and a molecular weight of 295.41 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide
PubChem CID106725354
Molecular FormulaC11H25N3O4S
Molecular Weight295.41 g/mol
Exact Mass295.16
IUPAC NameN'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H25N3O4S/c1-10(2)19(16,17)9-7-14(6-8-18-3)5-4-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyWUAJXAHWNCJADD-UHFFFAOYSA-N
XLogP-0.11
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide 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-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide
CID 76993993
N-(2-bromoethyl)-2-methoxy-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106731282
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide
CID 104863502
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
CID 54986697
N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide
CID 106725316
3-[ethyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide
CID 76910513
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 77005818
N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide
CID 82843075
N'-hydroxy-3-[2-methoxyethyl(2-phenylsulfanylethyl)amino]propanimidamide
CID 79222130
3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76994018

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide (CID 106725354) is N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide is COCCN(CCC(N)=NO)CCS(=O)(=O)C(C)C.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide?
The InChIKey is WUAJXAHWNCJADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O4S/c1-10(2)19(16,17)9-7-14(6-8-18-3)5-4-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide has a molecular weight of 295.41 g/mol, XLogP of -0.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide is sourced from PubChem (CID 106725354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).