3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide

C12H24N4O3S — CID 76911639

IUPAC3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide
SMILESCC1CCN(S(=O)(=O)N(CCC(N)=NO)C2CC2)CC1
InChIInChI=1S/C12H24N4O3S/c1-10-4-7-15(8-5-10)20(18,19)16(11-2-3-11)9-6-12(13)14-17/h10-11,17H,2-9H2,1H3,(H2,13,14)
InChIKeyVTJMAUQGHCJOQO-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.56
Rot. Bonds6

About 3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide

3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide (PubChem CID 76911639) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide
PubChem CID76911639
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide
SMILESCC1CCN(S(=O)(=O)N(CCC(N)=NO)C2CC2)CC1
InChIInChI=1S/C12H24N4O3S/c1-10-4-7-15(8-5-10)20(18,19)16(11-2-3-11)9-6-12(13)14-17/h10-11,17H,2-9H2,1H3,(H2,13,14)
InChIKeyVTJMAUQGHCJOQO-UHFFFAOYSA-N
XLogP0.56
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
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'}

Analyze 3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide
CID 155600957
(2R)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide
CID 156137134
N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide
CID 156630474
(2S)-N'-hydroxy-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboximidamide
CID 173925559
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxypentanimidamide
CID 54986118
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-N'-hydroxybutanimidamide
CID 54986119
3-[ethyl(piperidin-1-ylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54988521
N'-hydroxy-2-methyl-3-[methyl(piperidin-1-ylsulfonyl)amino]propanimidamide
CID 54991647
N'-hydroxy-2-methyl-3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanimidamide
CID 54991698
N'-hydroxy-2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanimidamide
CID 54991893
N'-hydroxy-2-methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanimidamide
CID 54991894
3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992417

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide (CID 76911639) is 3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide is CC1CCN(S(=O)(=O)N(CCC(N)=NO)C2CC2)CC1.
What is the InChIKey of 3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide?
The InChIKey is VTJMAUQGHCJOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-10-4-7-15(8-5-10)20(18,19)16(11-2-3-11)9-6-12(13)14-17/h10-11,17H,2-9H2,1H3,(H2,13,14).
What are the key properties of 3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide?
3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide has a molecular weight of 304.42 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(4-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76911639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).