3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide

C12H26N4O3S — CID 76910645

IUPAC3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H26N4O3S/c1-4-15(9-11(3)12(13)14-17)20(18,19)16-7-5-6-10(2)8-16/h10-11,17H,4-9H2,1-3H3,(H2,13,14)
InChIKeyBQSYEYCXPJJIJB-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.67
Rot. Bonds6

About 3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910645) has the molecular formula C12H26N4O3S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910645
Molecular FormulaC12H26N4O3S
Molecular Weight306.43 g/mol
Exact Mass306.17
IUPAC Name3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)C(N)=NO)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H26N4O3S/c1-4-15(9-11(3)12(13)14-17)20(18,19)16-7-5-6-10(2)8-16/h10-11,17H,4-9H2,1-3H3,(H2,13,14)
InChIKeyBQSYEYCXPJJIJB-UHFFFAOYSA-N
XLogP0.67
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.67
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

N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 54983626
N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 43136910
2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822
2-[(3-methylpiperidin-1-yl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 63066424
N'-hydroxy-3-[2-methoxyethyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
CID 76993942
3-(1-aminoethyl)-N,N-diethylpiperidine-1-sulfonamide
CID 63854361
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
CID 61448219
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
1-[ethyl(2-ethylbutyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859412
2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94061322
N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
CID 104556348
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide (CID 76910645) is 3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)C(N)=NO)S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of 3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is BQSYEYCXPJJIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3S/c1-4-15(9-11(3)12(13)14-17)20(18,19)16-7-5-6-10(2)8-16/h10-11,17H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 306.43 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).