N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide

C7H16N2O2S — CID 43446125

IUPACN'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide
SMILESCOCCSCC(C)/C(N)=N/O
InChIInChI=1S/C7H16N2O2S/c1-6(7(8)9-10)5-12-4-3-11-2/h6,10H,3-5H2,1-2H3,(H2,8,9)
InChIKeyFWLYFCCYGFBSNI-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.75
Rot. Bonds6

About N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide

N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide (PubChem CID 43446125) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide
PubChem CID43446125
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide
SMILESCOCCSCC(C)/C(N)=N/O
InChIInChI=1S/C7H16N2O2S/c1-6(7(8)9-10)5-12-4-3-11-2/h6,10H,3-5H2,1-2H3,(H2,8,9)
InChIKeyFWLYFCCYGFBSNI-UHFFFAOYSA-N
XLogP0.75
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide
CID 43369057
N'-hydroxy-2-methyl-3-(2-methylsulfonylethylsulfanyl)propanimidamide
CID 77003939
N'-hydroxy-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-methylpropanimidamide
CID 77112675
(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine
CID 104889147
3-[ethyl(4-methoxybutan-2-yl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 104881692
2-amino-3-(2-methoxyethylsulfanyl)propan-1-ol
CID 64821492
1-(2-methoxyethylsulfanyl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992328
2-[bis(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
CID 76914953
N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
CID 76953299
ethyl 3-(3-methoxypropylsulfanyl)-2-methylpropanoate
CID 63856088
3-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 61451610
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 114032010

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide (CID 43446125) is N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide is COCCSCC(C)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide?
The InChIKey is FWLYFCCYGFBSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-6(7(8)9-10)5-12-4-3-11-2/h6,10H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide?
N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide has a molecular weight of 192.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-methoxyethylsulfanyl)-2-methylpropanimidamide is sourced from PubChem (CID 43446125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).