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

C11H24N4O3S — CID 76917203

IUPACN'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H24N4O3S/c1-10(2)9-15(8-5-11(12)13-16)19(17,18)14-6-3-4-7-14/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyZWIRARQBIWERIW-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.42
Rot. Bonds7

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

N'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide (PubChem CID 76917203) has the molecular formula C11H24N4O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
PubChem CID76917203
Molecular FormulaC11H24N4O3S
Molecular Weight292.40 g/mol
Exact Mass292.16
IUPAC NameN'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H24N4O3S/c1-10(2)9-15(8-5-11(12)13-16)19(17,18)14-6-3-4-7-14/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyZWIRARQBIWERIW-UHFFFAOYSA-N
XLogP0.42
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.42
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-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide (CID 76917203) is N'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide is CC(C)CN(CCC(N)=NO)S(=O)(=O)N1CCCC1.
What is the InChIKey of N'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
The InChIKey is ZWIRARQBIWERIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O3S/c1-10(2)9-15(8-5-11(12)13-16)19(17,18)14-6-3-4-7-14/h10,16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide?
N'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide has a molecular weight of 292.40 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methylpropyl(pyrrolidin-1-ylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 76917203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).