N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide

C12H21N3O3S — CID 21455902

IUPACN-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide
SMILESO=C(NSN1CCOCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C12H21N3O3S/c16-11(13-10-4-2-1-3-5-10)12(17)14-19-15-6-8-18-9-7-15/h10H,1-9H2,(H,13,16)(H,14,17)
InChIKeyAPNIPJIVYKLVEB-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.45
Rot. Bonds3

About N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide

N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide (PubChem CID 21455902) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide
PubChem CID21455902
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide
SMILESO=C(NSN1CCOCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C12H21N3O3S/c16-11(13-10-4-2-1-3-5-10)12(17)14-19-15-6-8-18-9-7-15/h10H,1-9H2,(H,13,16)(H,14,17)
InChIKeyAPNIPJIVYKLVEB-UHFFFAOYSA-N
XLogP0.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide?
The IUPAC name of N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide (CID 21455902) is N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide.
What is the SMILES notation for N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide?
The canonical SMILES for N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide is O=C(NSN1CCOCC1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide?
The InChIKey is APNIPJIVYKLVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c16-11(13-10-4-2-1-3-5-10)12(17)14-19-15-6-8-18-9-7-15/h10H,1-9H2,(H,13,16)(H,14,17).
What are the key properties of N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide?
N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide has a molecular weight of 287.38 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-morpholin-4-ylsulfanyloxamide is sourced from PubChem (CID 21455902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).