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

C11H24N4O3S — CID 54991893

IUPACN'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
SMILESCC1CCCN(S(=O)(=O)N(C)CC(C)/C(N)=N/O)C1
InChIInChI=1S/C11H24N4O3S/c1-9-5-4-6-15(7-9)19(17,18)14(3)8-10(2)11(12)13-16/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyKQYYBCMQSDPPQZ-UHFFFAOYSA-N
MW292.41 g/mol
LogP0.28
Rot. Bonds5

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

N'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide (PubChem CID 54991893) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
PubChem CID54991893
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC NameN'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
SMILESCC1CCCN(S(=O)(=O)N(C)CC(C)/C(N)=N/O)C1
InChIInChI=1S/C11H24N4O3S/c1-9-5-4-6-15(7-9)19(17,18)14(3)8-10(2)11(12)13-16/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyKQYYBCMQSDPPQZ-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
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-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide (CID 54991893) is N'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide is CC1CCCN(S(=O)(=O)N(C)CC(C)/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide?
The InChIKey is KQYYBCMQSDPPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-9-5-4-6-15(7-9)19(17,18)14(3)8-10(2)11(12)13-16/h9-10,16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide has a molecular weight of 292.41 g/mol, XLogP of 0.28, 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-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide is sourced from PubChem (CID 54991893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).