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

C8H18N4O3S — CID 76928392

IUPACN'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
SMILESCC(C(N)=NO)N(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N4O3S/c1-7(8(9)10-13)11(2)16(14,15)12-5-3-4-6-12/h7,13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyMSOOTTKZFKQHCJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.61
Rot. Bonds4

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

N'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide (PubChem CID 76928392) has the molecular formula C8H18N4O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
PubChem CID76928392
Molecular FormulaC8H18N4O3S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC NameN'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
SMILESCC(C(N)=NO)N(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H18N4O3S/c1-7(8(9)10-13)11(2)16(14,15)12-5-3-4-6-12/h7,13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyMSOOTTKZFKQHCJ-UHFFFAOYSA-N
XLogP-0.61
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.61
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide (CID 76928392) is N'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide is CC(C(N)=NO)N(C)S(=O)(=O)N1CCCC1.
What is the InChIKey of N'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
The InChIKey is MSOOTTKZFKQHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3S/c1-7(8(9)10-13)11(2)16(14,15)12-5-3-4-6-12/h7,13H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
N'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide has a molecular weight of 250.32 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 76928392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).