3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide

C10H23N3OS — CID 104863498

IUPAC3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCCSCCCN(C)C(C)CC(N)=NO
InChIInChI=1S/C10H23N3OS/c1-4-15-7-5-6-13(3)9(2)8-10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyOUOBCDOYQJBPCJ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds8

About 3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide

3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide (PubChem CID 104863498) has the molecular formula C10H23N3OS and a molecular weight of 233.38 g/mol. Its IUPAC name is 3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide
PubChem CID104863498
Molecular FormulaC10H23N3OS
Molecular Weight233.38 g/mol
Exact Mass233.16
IUPAC Name3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCCSCCCN(C)C(C)CC(N)=NO
InChIInChI=1S/C10H23N3OS/c1-4-15-7-5-6-13(3)9(2)8-10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyOUOBCDOYQJBPCJ-UHFFFAOYSA-N
XLogP1.59
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
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

2-[ethyl(3-ethylsulfanylpropyl)amino]-N'-hydroxyethanimidamide
CID 104863487
3-[2-ethylsulfanylethyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 104863480
N'-hydroxy-3-[2-(3-methoxypropoxy)ethyl-methylamino]butanimidamide
CID 103180044
3-(dipropylamino)-N'-hydroxybutanimidamide
CID 76883738
N'-hydroxy-3-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide
CID 77008845
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide
CID 106034084
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]butanimidamide
CID 106034042
N'-hydroxy-3-[pentyl(propan-2-yl)amino]butanimidamide
CID 76911929
3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide
CID 77073448
N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide
CID 103002979
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987881
3-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxybutanimidamide
CID 76912505

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide (CID 104863498) is 3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide is CCSCCCN(C)C(C)CC(N)=NO.
What is the InChIKey of 3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is OUOBCDOYQJBPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3OS/c1-4-15-7-5-6-13(3)9(2)8-10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of 3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide?
3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 233.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethylsulfanylpropyl(methyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 104863498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).