N'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide

C5H12N2O2S — CID 43617549

IUPACN'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide
SMILESN/C(CCSCCO)=N\O
InChIInChI=1S/C5H12N2O2S/c6-5(7-9)1-3-10-4-2-8/h8-9H,1-4H2,(H2,6,7)
InChIKeyOZBNKDPYRLYQKZ-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.15
Rot. Bonds5

About N'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide

N'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide (PubChem CID 43617549) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is N'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide
PubChem CID43617549
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC NameN'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide
SMILESN/C(CCSCCO)=N\O
InChIInChI=1S/C5H12N2O2S/c6-5(7-9)1-3-10-4-2-8/h8-9H,1-4H2,(H2,6,7)
InChIKeyOZBNKDPYRLYQKZ-UHFFFAOYSA-N
XLogP-0.15
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydroxyethylsulfanyl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide (CID 43617549) is N'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide is N/C(CCSCCO)=N\O.
What is the InChIKey of N'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide?
The InChIKey is OZBNKDPYRLYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c6-5(7-9)1-3-10-4-2-8/h8-9H,1-4H2,(H2,6,7).
What are the key properties of N'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide?
N'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide has a molecular weight of 164.23 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-hydroxyethylsulfanyl)propanimidamide is sourced from PubChem (CID 43617549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).