2-cyclohexylsulfanyl-N'-hydroxybutanimidamide

C10H20N2OS — CID 76915858

IUPAC2-cyclohexylsulfanyl-N'-hydroxybutanimidamide
SMILESCCC(SC1CCCCC1)C(N)=NO
InChIInChI=1S/C10H20N2OS/c1-2-9(10(11)12-13)14-8-6-4-3-5-7-8/h8-9,13H,2-7H2,1H3,(H2,11,12)
InChIKeyIWJJAPWHKZHWTB-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.58
Rot. Bonds4

About 2-cyclohexylsulfanyl-N'-hydroxybutanimidamide

2-cyclohexylsulfanyl-N'-hydroxybutanimidamide (PubChem CID 76915858) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-N'-hydroxybutanimidamide
PubChem CID76915858
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-cyclohexylsulfanyl-N'-hydroxybutanimidamide
SMILESCCC(SC1CCCCC1)C(N)=NO
InChIInChI=1S/C10H20N2OS/c1-2-9(10(11)12-13)14-8-6-4-3-5-7-8/h8-9,13H,2-7H2,1H3,(H2,11,12)
InChIKeyIWJJAPWHKZHWTB-UHFFFAOYSA-N
XLogP2.58
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.58
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 2-cyclohexylsulfanyl-N'-hydroxybutanimidamide?
The IUPAC name of 2-cyclohexylsulfanyl-N'-hydroxybutanimidamide (CID 76915858) is 2-cyclohexylsulfanyl-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-cyclohexylsulfanyl-N'-hydroxybutanimidamide?
The canonical SMILES for 2-cyclohexylsulfanyl-N'-hydroxybutanimidamide is CCC(SC1CCCCC1)C(N)=NO.
What is the InChIKey of 2-cyclohexylsulfanyl-N'-hydroxybutanimidamide?
The InChIKey is IWJJAPWHKZHWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-2-9(10(11)12-13)14-8-6-4-3-5-7-8/h8-9,13H,2-7H2,1H3,(H2,11,12).
What are the key properties of 2-cyclohexylsulfanyl-N'-hydroxybutanimidamide?
2-cyclohexylsulfanyl-N'-hydroxybutanimidamide has a molecular weight of 216.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-N'-hydroxybutanimidamide is sourced from PubChem (CID 76915858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).