N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide

C10H20N4O4S — CID 77015089

IUPACN'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(C(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C10H20N4O4S/c1-8(10(11)12-16)13-3-5-14(6-4-13)9(15)7-19(2,17)18/h8,16H,3-7H2,1-2H3,(H2,11,12)
InChIKeyIJHYLRIILCUWHK-UHFFFAOYSA-N
MW292.36 g/mol
LogP-1.69
Rot. Bonds4

About N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide (PubChem CID 77015089) has the molecular formula C10H20N4O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide
PubChem CID77015089
Molecular FormulaC10H20N4O4S
Molecular Weight292.36 g/mol
Exact Mass292.12
IUPAC NameN'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(C(=O)CS(C)(=O)=O)CC1
InChIInChI=1S/C10H20N4O4S/c1-8(10(11)12-16)13-3-5-14(6-4-13)9(15)7-19(2,17)18/h8,16H,3-7H2,1-2H3,(H2,11,12)
InChIKeyIJHYLRIILCUWHK-UHFFFAOYSA-N
XLogP-1.69
TPSA116.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012386
2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 55202553
2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87561124
N'-hydroxy-2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]propanimidamide
CID 77099596
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012378
N'-hydroxy-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
CID 77012625
ethyl N-[4-(1-amino-1-hydroxyiminopropan-2-yl)piperazin-1-yl]sulfonylcarbamate
CID 104929373
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012457
N'-hydroxy-2-[4-(3-methoxypropylsulfonyl)piperazin-1-yl]propanimidamide
CID 77012577
2-methyl-1-[1-(2-methylsulfonylacetyl)piperidin-4-yl]propan-1-one
CID 171725648
2-[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 107965201
2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
CID 76981202

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide (CID 77015089) is N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide is CC(C(N)=NO)N1CCN(C(=O)CS(C)(=O)=O)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide?
The InChIKey is IJHYLRIILCUWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4S/c1-8(10(11)12-16)13-3-5-14(6-4-13)9(15)7-19(2,17)18/h8,16H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide has a molecular weight of 292.36 g/mol, XLogP of -1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77015089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).