N'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide

C11H24N4O3S — CID 55101590

IUPACN'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide
SMILESCCC(C/C(N)=N/O)NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H24N4O3S/c1-3-10(7-11(12)13-16)14-19(17,18)15-6-4-5-9(2)8-15/h9-10,14,16H,3-8H2,1-2H3,(H2,12,13)
InChIKeyWVRWAPWTGDETTI-UHFFFAOYSA-N
MW292.41 g/mol
LogP0.47
Rot. Bonds6

About N'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide

N'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide (PubChem CID 55101590) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide
PubChem CID55101590
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC NameN'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide
SMILESCCC(C/C(N)=N/O)NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H24N4O3S/c1-3-10(7-11(12)13-16)14-19(17,18)15-6-4-5-9(2)8-15/h9-10,14,16H,3-8H2,1-2H3,(H2,12,13)
InChIKeyWVRWAPWTGDETTI-UHFFFAOYSA-N
XLogP0.47
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 50.47
H-Bond Donors ≤ 53
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-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide (CID 55101590) is N'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide is CCC(C/C(N)=N/O)NS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide?
The InChIKey is WVRWAPWTGDETTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-3-10(7-11(12)13-16)14-19(17,18)15-6-4-5-9(2)8-15/h9-10,14,16H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide?
N'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide has a molecular weight of 292.41 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3-methylpiperidin-1-yl)sulfonylamino]pentanimidamide is sourced from PubChem (CID 55101590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).