N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide

C11H24N4OS — CID 104863517

IUPACN'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide
SMILESCSCCN1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C11H24N4OS/c1-11(2,10(12)13-16)15-6-4-14(5-7-15)8-9-17-3/h16H,4-9H2,1-3H3,(H2,12,13)
InChIKeyIVLMEMPQYAFFTD-UHFFFAOYSA-N
MW260.41 g/mol
LogP0.49
Rot. Bonds5

About N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide (PubChem CID 104863517) has the molecular formula C11H24N4OS and a molecular weight of 260.41 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide
PubChem CID104863517
Molecular FormulaC11H24N4OS
Molecular Weight260.41 g/mol
Exact Mass260.17
IUPAC NameN'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide
SMILESCSCCN1CCN(C(C)(C)C(N)=NO)CC1
InChIInChI=1S/C11H24N4OS/c1-11(2,10(12)13-16)15-6-4-14(5-7-15)8-9-17-3/h16H,4-9H2,1-3H3,(H2,12,13)
InChIKeyIVLMEMPQYAFFTD-UHFFFAOYSA-N
XLogP0.49
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 50.49
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide (CID 104863517) is N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide is CSCCN1CCN(C(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide?
The InChIKey is IVLMEMPQYAFFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4OS/c1-11(2,10(12)13-16)15-6-4-14(5-7-15)8-9-17-3/h16H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide has a molecular weight of 260.41 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 104863517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).