3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide

C6H14N2OS — CID 43369057

IUPAC3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide
SMILESCCSCC(C)/C(N)=N/O
InChIInChI=1S/C6H14N2OS/c1-3-10-4-5(2)6(7)8-9/h5,9H,3-4H2,1-2H3,(H2,7,8)
InChIKeyMCKUKHPBWFDFEW-UHFFFAOYSA-N
MW162.26 g/mol
LogP1.12
Rot. Bonds4

About 3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide

3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide (PubChem CID 43369057) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide
PubChem CID43369057
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide
SMILESCCSCC(C)/C(N)=N/O
InChIInChI=1S/C6H14N2OS/c1-3-10-4-5(2)6(7)8-9/h5,9H,3-4H2,1-2H3,(H2,7,8)
InChIKeyMCKUKHPBWFDFEW-UHFFFAOYSA-N
XLogP1.12
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-(methylsulfanyl)butanimidamide
CID 61023327
2-(butan-2-ylsulfanylmethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103371305
2-(ethylsulfanylmethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103371306
2-(tert-butylsulfanylmethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103371307
3,3,3-trifluoro-N'-hydroxy-2-(propylsulfanylmethyl)propanimidamide
CID 103371308
3,3,3-trifluoro-N'-hydroxy-2-(2-methylpropylsulfanylmethyl)propanimidamide
CID 103371311
2-(butylsulfanylmethyl)-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103371323
3,3,3-trifluoro-N'-hydroxy-2-(propan-2-ylsulfanylmethyl)propanimidamide
CID 103371327
3,3,3-trifluoro-N'-hydroxy-2-(methylsulfanylmethyl)propanimidamide
CID 103371329
N'-methoxy-2-methyl-3-methylsulfanylpropanimidamide
CID 140225359
N'-methoxy-3-methylsulfanylpropanimidamide
CID 140225363
N'-hydroxy-2-(2-methylbutan-2-ylsulfanyl)ethanimidamide
CID 170046284

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide (CID 43369057) is 3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide is CCSCC(C)/C(N)=N/O.
What is the InChIKey of 3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is MCKUKHPBWFDFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-3-10-4-5(2)6(7)8-9/h5,9H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of 3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide?
3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 162.26 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 43369057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).