N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide

C9H20N4O3S — CID 54991745

IUPACN'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
SMILESCC(CN(C)S(=O)(=O)N1CCCC1)/C(N)=N/O
InChIInChI=1S/C9H20N4O3S/c1-8(9(10)11-14)7-12(2)17(15,16)13-5-3-4-6-13/h8,14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyZUXXHJKAAWXMSV-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.36
Rot. Bonds5

About N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide (PubChem CID 54991745) has the molecular formula C9H20N4O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
PubChem CID54991745
Molecular FormulaC9H20N4O3S
Molecular Weight264.35 g/mol
Exact Mass264.13
IUPAC NameN'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
SMILESCC(CN(C)S(=O)(=O)N1CCCC1)/C(N)=N/O
InChIInChI=1S/C9H20N4O3S/c1-8(9(10)11-14)7-12(2)17(15,16)13-5-3-4-6-13/h8,14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyZUXXHJKAAWXMSV-UHFFFAOYSA-N
XLogP-0.36
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide 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-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide (CID 54991745) is N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide is CC(CN(C)S(=O)(=O)N1CCCC1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
The InChIKey is ZUXXHJKAAWXMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S/c1-8(9(10)11-14)7-12(2)17(15,16)13-5-3-4-6-13/h8,14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide has a molecular weight of 264.35 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 54991745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).