N'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide

C10H23N3O3S — CID 55261692

IUPACN'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide
SMILESCC(C)CCS(=O)(=O)N(C)CC(C)/C(N)=N/O
InChIInChI=1S/C10H23N3O3S/c1-8(2)5-6-17(15,16)13(4)7-9(3)10(11)12-14/h8-9,14H,5-7H2,1-4H3,(H2,11,12)
InChIKeyMJBAMUAPTITFRR-UHFFFAOYSA-N
MW265.38 g/mol
LogP0.68
Rot. Bonds7

About N'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide (PubChem CID 55261692) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide
PubChem CID55261692
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide
SMILESCC(C)CCS(=O)(=O)N(C)CC(C)/C(N)=N/O
InChIInChI=1S/C10H23N3O3S/c1-8(2)5-6-17(15,16)13(4)7-9(3)10(11)12-14/h8-9,14H,5-7H2,1-4H3,(H2,11,12)
InChIKeyMJBAMUAPTITFRR-UHFFFAOYSA-N
XLogP0.68
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 50.68
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(3-methylbutylsulfonyl)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(3-methylbutylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide (CID 55261692) is N'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide is CC(C)CCS(=O)(=O)N(C)CC(C)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide?
The InChIKey is MJBAMUAPTITFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-8(2)5-6-17(15,16)13(4)7-9(3)10(11)12-14/h8-9,14H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide has a molecular weight of 265.38 g/mol, XLogP of 0.68, 7 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(3-methylbutylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 55261692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).