2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide

C12H24N4O3S — CID 77046495

IUPAC2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C12H24N4O3S/c1-2-3-11(12(13)14-17)15-6-8-16(9-7-15)20(18,19)10-4-5-10/h10-11,17H,2-9H2,1H3,(H2,13,14)
InChIKeyDKPRVCHRJAUANP-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.01
Rot. Bonds6

About 2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide

2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide (PubChem CID 77046495) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide
PubChem CID77046495
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C12H24N4O3S/c1-2-3-11(12(13)14-17)15-6-8-16(9-7-15)20(18,19)10-4-5-10/h10-11,17H,2-9H2,1H3,(H2,13,14)
InChIKeyDKPRVCHRJAUANP-UHFFFAOYSA-N
XLogP0.01
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.01
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

N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
CID 77012111
2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 55222178
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 104892242
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide
CID 77012597
N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide
CID 77012839
N'-hydroxy-2-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]butanimidamide
CID 82833756
2-[4-(2-ethylsulfanylethyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 104863512
N'-hydroxy-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
CID 77012625
ethyl 2-(4-methylsulfonylpiperazin-1-yl)pentanoate
CID 78964963
N'-hydroxy-2-(4-pyrazin-2-ylpiperazin-1-yl)pentanimidamide
CID 77012355
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 76915824
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
CID 77012746

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide (CID 77046495) is 2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide is CCCC(C(N)=NO)N1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide?
The InChIKey is DKPRVCHRJAUANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-2-3-11(12(13)14-17)15-6-8-16(9-7-15)20(18,19)10-4-5-10/h10-11,17H,2-9H2,1H3,(H2,13,14).
What are the key properties of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide?
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide has a molecular weight of 304.42 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77046495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).