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

C7H16N2O2S — CID 43617550

IUPACN'-hydroxy-3-(2-hydroxyethylsulfanyl)pentanimidamide
SMILESCCC(C/C(N)=N/O)SCCO
InChIInChI=1S/C7H16N2O2S/c1-2-6(12-4-3-10)5-7(8)9-11/h6,10-11H,2-5H2,1H3,(H2,8,9)
InChIKeyCNBDVYMWVDSBMH-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.63
Rot. Bonds6

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

N'-hydroxy-3-(2-hydroxyethylsulfanyl)pentanimidamide (PubChem CID 43617550) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is N'-hydroxy-3-(2-hydroxyethylsulfanyl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-hydroxyethylsulfanyl)pentanimidamide
PubChem CID43617550
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC NameN'-hydroxy-3-(2-hydroxyethylsulfanyl)pentanimidamide
SMILESCCC(C/C(N)=N/O)SCCO
InChIInChI=1S/C7H16N2O2S/c1-2-6(12-4-3-10)5-7(8)9-11/h6,10-11H,2-5H2,1H3,(H2,8,9)
InChIKeyCNBDVYMWVDSBMH-UHFFFAOYSA-N
XLogP0.63
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.63
H-Bond Donors ≤ 53
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-hydroxyethylsulfanyl)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(2-hydroxyethylsulfanyl)pentanimidamide (CID 43617550) is N'-hydroxy-3-(2-hydroxyethylsulfanyl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-hydroxyethylsulfanyl)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-hydroxyethylsulfanyl)pentanimidamide is CCC(C/C(N)=N/O)SCCO.
What is the InChIKey of N'-hydroxy-3-(2-hydroxyethylsulfanyl)pentanimidamide?
The InChIKey is CNBDVYMWVDSBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-6(12-4-3-10)5-7(8)9-11/h6,10-11H,2-5H2,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-3-(2-hydroxyethylsulfanyl)pentanimidamide?
N'-hydroxy-3-(2-hydroxyethylsulfanyl)pentanimidamide has a molecular weight of 192.28 g/mol, XLogP of 0.63, 6 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)pentanimidamide is sourced from PubChem (CID 43617550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).