2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide

C13H26N4O3S — CID 105361624

IUPAC2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C13H26N4O3S/c1-13(2,12(14)15-18)16-7-9-17(10-8-16)21(19,20)11-5-3-4-6-11/h11,18H,3-10H2,1-2H3,(H2,14,15)
InChIKeyXSOGZJBMRSPTDX-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.40
Rot. Bonds4

About 2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide

2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 105361624) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
PubChem CID105361624
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(S(=O)(=O)C2CCCC2)CC1
InChIInChI=1S/C13H26N4O3S/c1-13(2,12(14)15-18)16-7-9-17(10-8-16)21(19,20)11-5-3-4-6-11/h11,18H,3-10H2,1-2H3,(H2,14,15)
InChIKeyXSOGZJBMRSPTDX-UHFFFAOYSA-N
XLogP0.40
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.40
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

2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 55203523
2-(4-cycloheptylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 82927577
N'-hydroxy-2-methyl-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
CID 77012657
2-(4-cyclohexylsulfonylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 77011980
N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
CID 107912433
2-[4-(2-bicyclo[2.2.1]heptanylmethyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 79562785
N'-hydroxy-2-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanimidamide
CID 77012650
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012843
N-(1-cyclopentylsulfonylpiperidin-4-ylidene)hydroxylamine
CID 105361207
N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide
CID 55219817
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 77012817
N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide
CID 104863517

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide (CID 105361624) is 2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide is CC(C)(C(N)=NO)N1CCN(S(=O)(=O)C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is XSOGZJBMRSPTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-13(2,12(14)15-18)16-7-9-17(10-8-16)21(19,20)11-5-3-4-6-11/h11,18H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of 2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 318.44 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 105361624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).