N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide

C18H31N3O3S — CID 21455906

IUPACN',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide
SMILESO=C(NSN1CCOCC1)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H31N3O3S/c22-17(19-25-20-11-13-24-14-12-20)18(23)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h15-16H,1-14H2,(H,19,22)
InChIKeyNMDYHIXXXYWGBQ-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.49
Rot. Bonds4

About N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide

N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide (PubChem CID 21455906) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide.

Molecular Properties

Compound NameN',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide
PubChem CID21455906
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide
SMILESO=C(NSN1CCOCC1)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H31N3O3S/c22-17(19-25-20-11-13-24-14-12-20)18(23)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h15-16H,1-14H2,(H,19,22)
InChIKeyNMDYHIXXXYWGBQ-UHFFFAOYSA-N
XLogP2.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.49
H-Bond Donors ≤ 51
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',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide?
The IUPAC name of N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide (CID 21455906) is N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide.
What is the SMILES notation for N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide?
The canonical SMILES for N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide is O=C(NSN1CCOCC1)C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide?
The InChIKey is NMDYHIXXXYWGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c22-17(19-25-20-11-13-24-14-12-20)18(23)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h15-16H,1-14H2,(H,19,22).
What are the key properties of N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide?
N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide has a molecular weight of 369.53 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dicyclohexyl-N-morpholin-4-ylsulfanyloxamide is sourced from PubChem (CID 21455906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).