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

C12H26N4O4S — CID 76993942

IUPACN'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
SMILESCOCCN(CCC(N)=NO)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H26N4O4S/c1-11-4-3-6-16(10-11)21(18,19)15(8-9-20-2)7-5-12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14)
InChIKeyKBBXHUXVMDVFLI-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.05
Rot. Bonds8

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

N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide (PubChem CID 76993942) has the molecular formula C12H26N4O4S and a molecular weight of 322.43 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
PubChem CID76993942
Molecular FormulaC12H26N4O4S
Molecular Weight322.43 g/mol
Exact Mass322.17
IUPAC NameN'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
SMILESCOCCN(CCC(N)=NO)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H26N4O4S/c1-11-4-3-6-16(10-11)21(18,19)15(8-9-20-2)7-5-12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14)
InChIKeyKBBXHUXVMDVFLI-UHFFFAOYSA-N
XLogP0.05
TPSA108.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 63285443
2-[2-methoxyethyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94798810
3-[ethyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxypropanimidamide
CID 54993145
methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 54942106
3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910645
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
CID 61448219
N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 43136910
N'-hydroxy-3-[2-methoxyethyl-(3-methylcyclohexyl)amino]propanimidamide
CID 77023065
N-(2-hydroxyethyl)-N-(2-methoxyethyl)azepane-1-sulfonamide
CID 115754309
N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide
CID 82843075
2-[(3,5-dimethylpiperidin-1-yl)sulfonyl-(2-methoxyethyl)amino]acetamide
CID 47090039
3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992516

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide (CID 76993942) is N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide is COCCN(CCC(N)=NO)S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide?
The InChIKey is KBBXHUXVMDVFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O4S/c1-11-4-3-6-16(10-11)21(18,19)15(8-9-20-2)7-5-12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide has a molecular weight of 322.43 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide is sourced from PubChem (CID 76993942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).