N'-hydroxy-3-propylsulfanylpentanimidamide

C8H18N2OS — CID 43369060

IUPACN'-hydroxy-3-propylsulfanylpentanimidamide
SMILESCCCSC(CC)C/C(N)=N/O
InChIInChI=1S/C8H18N2OS/c1-3-5-12-7(4-2)6-8(9)10-11/h7,11H,3-6H2,1-2H3,(H2,9,10)
InChIKeyOCTDVGIZTOKNCB-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.04
Rot. Bonds6

About N'-hydroxy-3-propylsulfanylpentanimidamide

N'-hydroxy-3-propylsulfanylpentanimidamide (PubChem CID 43369060) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is N'-hydroxy-3-propylsulfanylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-propylsulfanylpentanimidamide
PubChem CID43369060
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC NameN'-hydroxy-3-propylsulfanylpentanimidamide
SMILESCCCSC(CC)C/C(N)=N/O
InChIInChI=1S/C8H18N2OS/c1-3-5-12-7(4-2)6-8(9)10-11/h7,11H,3-6H2,1-2H3,(H2,9,10)
InChIKeyOCTDVGIZTOKNCB-UHFFFAOYSA-N
XLogP2.04
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-propylsulfanylpentanimidamide?
The IUPAC name of N'-hydroxy-3-propylsulfanylpentanimidamide (CID 43369060) is N'-hydroxy-3-propylsulfanylpentanimidamide.
What is the SMILES notation for N'-hydroxy-3-propylsulfanylpentanimidamide?
The canonical SMILES for N'-hydroxy-3-propylsulfanylpentanimidamide is CCCSC(CC)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-propylsulfanylpentanimidamide?
The InChIKey is OCTDVGIZTOKNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-3-5-12-7(4-2)6-8(9)10-11/h7,11H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-propylsulfanylpentanimidamide?
N'-hydroxy-3-propylsulfanylpentanimidamide has a molecular weight of 190.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-propylsulfanylpentanimidamide is sourced from PubChem (CID 43369060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).