N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide

C7H17N3O3S — CID 76988192

IUPACN'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide
SMILESCN(CCCS(C)(=O)=O)CC(N)=NO
InChIInChI=1S/C7H17N3O3S/c1-10(6-7(8)9-11)4-3-5-14(2,12)13/h11H,3-6H2,1-2H3,(H2,8,9)
InChIKeyAMXLVIHRFUATHA-UHFFFAOYSA-N
MW223.30 g/mol
LogP-0.90
Rot. Bonds6

About N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide

N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide (PubChem CID 76988192) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide
PubChem CID76988192
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC NameN'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide
SMILESCN(CCCS(C)(=O)=O)CC(N)=NO
InChIInChI=1S/C7H17N3O3S/c1-10(6-7(8)9-11)4-3-5-14(2,12)13/h11H,3-6H2,1-2H3,(H2,8,9)
InChIKeyAMXLVIHRFUATHA-UHFFFAOYSA-N
XLogP-0.90
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-0.90
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide (CID 76988192) is N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide is CN(CCCS(C)(=O)=O)CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide?
The InChIKey is AMXLVIHRFUATHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-10(6-7(8)9-11)4-3-5-14(2,12)13/h11H,3-6H2,1-2H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide?
N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide has a molecular weight of 223.30 g/mol, XLogP of -0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide is sourced from PubChem (CID 76988192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).