N'-hydroxy-2-propylsulfonylethanimidamide

C5H12N2O3S — CID 86311128

IUPACN'-hydroxy-2-propylsulfonylethanimidamide
SMILESCCCS(=O)(=O)C/C(N)=N\O
InChIInChI=1S/C5H12N2O3S/c1-2-3-11(9,10)4-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKeyMZBUMLNJVFZLRR-UHFFFAOYSA-N
MW180.23 g/mol
LogP-0.44
Rot. Bonds4

About N'-hydroxy-2-propylsulfonylethanimidamide

N'-hydroxy-2-propylsulfonylethanimidamide (PubChem CID 86311128) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is N'-hydroxy-2-propylsulfonylethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-propylsulfonylethanimidamide
PubChem CID86311128
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC NameN'-hydroxy-2-propylsulfonylethanimidamide
SMILESCCCS(=O)(=O)C/C(N)=N\O
InChIInChI=1S/C5H12N2O3S/c1-2-3-11(9,10)4-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKeyMZBUMLNJVFZLRR-UHFFFAOYSA-N
XLogP-0.44
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-0.44
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-propylsulfonylethanimidamide?
The IUPAC name of N'-hydroxy-2-propylsulfonylethanimidamide (CID 86311128) is N'-hydroxy-2-propylsulfonylethanimidamide.
What is the SMILES notation for N'-hydroxy-2-propylsulfonylethanimidamide?
The canonical SMILES for N'-hydroxy-2-propylsulfonylethanimidamide is CCCS(=O)(=O)C/C(N)=N\O.
What is the InChIKey of N'-hydroxy-2-propylsulfonylethanimidamide?
The InChIKey is MZBUMLNJVFZLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-2-3-11(9,10)4-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7).
What are the key properties of N'-hydroxy-2-propylsulfonylethanimidamide?
N'-hydroxy-2-propylsulfonylethanimidamide has a molecular weight of 180.23 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-propylsulfonylethanimidamide is sourced from PubChem (CID 86311128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).