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'}

Analyze 2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide with MolForge

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

Launch Full Analysis

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).