N'-hydroxy-2-pentylsulfanylpropanimidamide

C8H18N2OS — CID 107749862

IUPACN'-hydroxy-2-pentylsulfanylpropanimidamide
SMILESCCCCCSC(C)C(N)=NO
InChIInChI=1S/C8H18N2OS/c1-3-4-5-6-12-7(2)8(9)10-11/h7,11H,3-6H2,1-2H3,(H2,9,10)
InChIKeyLYDQBMROLNCQKA-UHFFFAOYSA-N
MW190.31 g/mol
LogP2.04
Rot. Bonds6

About N'-hydroxy-2-pentylsulfanylpropanimidamide

N'-hydroxy-2-pentylsulfanylpropanimidamide (PubChem CID 107749862) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is N'-hydroxy-2-pentylsulfanylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-pentylsulfanylpropanimidamide
PubChem CID107749862
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC NameN'-hydroxy-2-pentylsulfanylpropanimidamide
SMILESCCCCCSC(C)C(N)=NO
InChIInChI=1S/C8H18N2OS/c1-3-4-5-6-12-7(2)8(9)10-11/h7,11H,3-6H2,1-2H3,(H2,9,10)
InChIKeyLYDQBMROLNCQKA-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': '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'}

Analyze N'-hydroxy-2-pentylsulfanylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-pentylsulfanylpropanimidamide?
The IUPAC name of N'-hydroxy-2-pentylsulfanylpropanimidamide (CID 107749862) is N'-hydroxy-2-pentylsulfanylpropanimidamide.
What is the SMILES notation for N'-hydroxy-2-pentylsulfanylpropanimidamide?
The canonical SMILES for N'-hydroxy-2-pentylsulfanylpropanimidamide is CCCCCSC(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-pentylsulfanylpropanimidamide?
The InChIKey is LYDQBMROLNCQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-3-4-5-6-12-7(2)8(9)10-11/h7,11H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-pentylsulfanylpropanimidamide?
N'-hydroxy-2-pentylsulfanylpropanimidamide 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-2-pentylsulfanylpropanimidamide is sourced from PubChem (CID 107749862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).