N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide

C11H24N4O3S — CID 54996578

IUPACN'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CC/C(N)=N/O)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H24N4O3S/c1-10(2)15(9-6-11(12)13-16)19(17,18)14-7-4-3-5-8-14/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyCFYYUNKMRRGFPR-UHFFFAOYSA-N
MW292.41 g/mol
LogP0.56
Rot. Bonds6

About N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide

N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide (PubChem CID 54996578) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide
PubChem CID54996578
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC NameN'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CC/C(N)=N/O)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H24N4O3S/c1-10(2)15(9-6-11(12)13-16)19(17,18)14-7-4-3-5-8-14/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyCFYYUNKMRRGFPR-UHFFFAOYSA-N
XLogP0.56
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide
CID 24694552
N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide
CID 24709708
N'-hydroxy-3-piperidin-1-ylpentanimidamide
CID 43367929
4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybutanimidamide
CID 43586077
3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypropanimidamide
CID 43586079
3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide
CID 43586080
N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]pentanimidamide
CID 54942020
N'-hydroxy-5-[methyl-(1-methylpiperidin-4-yl)amino]pentanimidamide
CID 54965910
5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide
CID 54966178
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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide (CID 54996578) is N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide is CC(C)N(CC/C(N)=N/O)S(=O)(=O)N1CCCCC1.
What is the InChIKey of N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide?
The InChIKey is CFYYUNKMRRGFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-10(2)15(9-6-11(12)13-16)19(17,18)14-7-4-3-5-8-14/h10,16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide?
N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide has a molecular weight of 292.41 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 N'-hydroxy-3-[piperidin-1-ylsulfonyl(propan-2-yl)amino]propanimidamide is sourced from PubChem (CID 54996578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).