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

C11H24N4O3S — CID 76987819

IUPACN'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide
SMILESCC(CC(N)=NO)N(C)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H24N4O3S/c1-9-6-4-5-7-15(9)19(17,18)14(3)10(2)8-11(12)13-16/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyBDLFUYDDTXXMKB-UHFFFAOYSA-N
MW292.41 g/mol
LogP0.56
Rot. Bonds5

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

N'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide (PubChem CID 76987819) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide
PubChem CID76987819
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC NameN'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide
SMILESCC(CC(N)=NO)N(C)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C11H24N4O3S/c1-9-6-4-5-7-15(9)19(17,18)14(3)10(2)8-11(12)13-16/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyBDLFUYDDTXXMKB-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
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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Related Compounds

3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992516
N'-hydroxy-3-[methyl(methylsulfamoyl)amino]butanimidamide
CID 104978448
3-[difluoromethylsulfonyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987880
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 112667005
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 61348368
N-(2-hydroxyethyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 60961271
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987881
N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
N-(2-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 102639398
N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 43136957
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-methylpiperidine-1-sulfonamide
CID 62007444

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide (CID 76987819) is N'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide is CC(CC(N)=NO)N(C)S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide?
The InChIKey is BDLFUYDDTXXMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-9-6-4-5-7-15(9)19(17,18)14(3)10(2)8-11(12)13-16/h9-10,16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide?
N'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide has a molecular weight of 292.41 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]butanimidamide is sourced from PubChem (CID 76987819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).