N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide

C11H24N4O3S — CID 54991894

IUPACN'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide
SMILESCC(CN(C)S(=O)(=O)N1CCCCC1C)/C(N)=N/O
InChIInChI=1S/C11H24N4O3S/c1-9(11(12)13-16)8-14(3)19(17,18)15-7-5-4-6-10(15)2/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyYPMJCGXRQBLIAP-UHFFFAOYSA-N
MW292.41 g/mol
LogP0.42
Rot. Bonds5

About N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide

N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide (PubChem CID 54991894) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide
PubChem CID54991894
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC NameN'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide
SMILESCC(CN(C)S(=O)(=O)N1CCCCC1C)/C(N)=N/O
InChIInChI=1S/C11H24N4O3S/c1-9(11(12)13-16)8-14(3)19(17,18)15-7-5-4-6-10(15)2/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyYPMJCGXRQBLIAP-UHFFFAOYSA-N
XLogP0.42
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide (CID 54991894) is N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide is CC(CN(C)S(=O)(=O)N1CCCCC1C)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide?
The InChIKey is YPMJCGXRQBLIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-9(11(12)13-16)8-14(3)19(17,18)15-7-5-4-6-10(15)2/h9-10,16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide has a molecular weight of 292.41 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide is sourced from PubChem (CID 54991894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).