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

C9H21N3O2S — CID 104863502

IUPACN'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide
SMILESCOCCN(CCSC)CCC(N)=NO
InChIInChI=1S/C9H21N3O2S/c1-14-7-5-12(6-8-15-2)4-3-9(10)11-13/h13H,3-8H2,1-2H3,(H2,10,11)
InChIKeyGAQXVTGSSPINOV-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.43
Rot. Bonds9

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

N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide (PubChem CID 104863502) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide
PubChem CID104863502
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide
SMILESCOCCN(CCSC)CCC(N)=NO
InChIInChI=1S/C9H21N3O2S/c1-14-7-5-12(6-8-15-2)4-3-9(10)11-13/h13H,3-8H2,1-2H3,(H2,10,11)
InChIKeyGAQXVTGSSPINOV-UHFFFAOYSA-N
XLogP0.43
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.43
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'}

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Related Compounds

N'-hydroxy-3-[2-methoxyethyl(2-phenylsulfanylethyl)amino]propanimidamide
CID 79222130
5-[bis(2-methoxyethyl)amino]-N'-hydroxypentanimidamide
CID 94230162
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfonylethyl)amino]propanimidamide
CID 76993993
N'-hydroxy-3-[2-methoxyethyl(2-propan-2-ylsulfonylethyl)amino]propanimidamide
CID 106725354
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
3-[(4-bromophenyl)methyl-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76994018
N'-hydroxy-3-[2-methoxyethyl(2-thiophen-2-ylethyl)amino]propanimidamide
CID 77005818
N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
CID 54986697
N'-hydroxy-3-[2-methoxyethyl(oxolan-3-ylmethyl)amino]propanimidamide
CID 76994058
N'-hydroxy-2-[2-methoxyethyl(propyl)amino]ethanimidamide
CID 76927566
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methoxyethyl)propanamide
CID 55219793
4-[bis(2-methoxyethyl)amino]butan-2-one
CID 60649279

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide (CID 104863502) is N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide is COCCN(CCSC)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide?
The InChIKey is GAQXVTGSSPINOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-14-7-5-12(6-8-15-2)4-3-9(10)11-13/h13H,3-8H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide has a molecular weight of 235.35 g/mol, XLogP of 0.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl(2-methylsulfanylethyl)amino]propanimidamide is sourced from PubChem (CID 104863502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).