N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide

C11H24N4O3S — CID 77027566

IUPACN'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide
SMILESCS(=O)(=O)N1CCC(NCCCCC(N)=NO)CC1
InChIInChI=1S/C11H24N4O3S/c1-19(17,18)15-8-5-10(6-9-15)13-7-3-2-4-11(12)14-16/h10,13,16H,2-9H2,1H3,(H2,12,14)
InChIKeyDGVYLCDPZDONIN-UHFFFAOYSA-N
MW292.41 g/mol
LogP-0.08
Rot. Bonds7

About N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide

N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide (PubChem CID 77027566) has the molecular formula C11H24N4O3S and a molecular weight of 292.41 g/mol. Its IUPAC name is N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide
PubChem CID77027566
Molecular FormulaC11H24N4O3S
Molecular Weight292.41 g/mol
Exact Mass292.16
IUPAC NameN'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide
SMILESCS(=O)(=O)N1CCC(NCCCCC(N)=NO)CC1
InChIInChI=1S/C11H24N4O3S/c1-19(17,18)15-8-5-10(6-9-15)13-7-3-2-4-11(12)14-16/h10,13,16H,2-9H2,1H3,(H2,12,14)
InChIKeyDGVYLCDPZDONIN-UHFFFAOYSA-N
XLogP-0.08
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide 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 N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide (CID 77027566) is N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide is CS(=O)(=O)N1CCC(NCCCCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide?
The InChIKey is DGVYLCDPZDONIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-19(17,18)15-8-5-10(6-9-15)13-7-3-2-4-11(12)14-16/h10,13,16H,2-9H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide?
N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide has a molecular weight of 292.41 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanimidamide is sourced from PubChem (CID 77027566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).