N'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide

C10H22N4O3S — CID 55033474

IUPACN'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide
SMILESCC1CCN(S(=O)(=O)NC(C)C/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O3S/c1-8-3-5-14(6-4-8)18(16,17)13-9(2)7-10(11)12-15/h8-9,13,15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyLXQJHKNKJBFBED-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.08
Rot. Bonds5

About N'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide

N'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide (PubChem CID 55033474) has the molecular formula C10H22N4O3S and a molecular weight of 278.38 g/mol. Its IUPAC name is N'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide
PubChem CID55033474
Molecular FormulaC10H22N4O3S
Molecular Weight278.38 g/mol
Exact Mass278.14
IUPAC NameN'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide
SMILESCC1CCN(S(=O)(=O)NC(C)C/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O3S/c1-8-3-5-14(6-4-8)18(16,17)13-9(2)7-10(11)12-15/h8-9,13,15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyLXQJHKNKJBFBED-UHFFFAOYSA-N
XLogP0.08
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.08
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-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide (CID 55033474) is N'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide is CC1CCN(S(=O)(=O)NC(C)C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide?
The InChIKey is LXQJHKNKJBFBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O3S/c1-8-3-5-14(6-4-8)18(16,17)13-9(2)7-10(11)12-15/h8-9,13,15H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide?
N'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide has a molecular weight of 278.38 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(4-methylpiperidin-1-yl)sulfonylamino]butanimidamide is sourced from PubChem (CID 55033474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).