N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide

C16H24F6N4O8S2 — CID 23337382

IUPACN,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide
SMILESO=C(C(=O)N(CCC1CNCCO1)S(=O)(=O)C(F)(F)F)N(CCC1CNCCO1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H24F6N4O8S2/c17-15(18,19)35(29,30)25(5-1-11-9-23-3-7-33-11)13(27)14(28)26(36(31,32)16(20,21)22)6-2-12-10-24-4-8-34-12/h11-12,23-24H,1-10H2
InChIKeyUJLQHXBOFVPYMQ-UHFFFAOYSA-N
MW578.51 g/mol
LogP-0.90
Rot. Bonds8

About N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide

N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide (PubChem CID 23337382) has the molecular formula C16H24F6N4O8S2 and a molecular weight of 578.51 g/mol. Its IUPAC name is N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide.

Molecular Properties

Compound NameN,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide
PubChem CID23337382
Molecular FormulaC16H24F6N4O8S2
Molecular Weight578.51 g/mol
Exact Mass578.09
IUPAC NameN,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide
SMILESO=C(C(=O)N(CCC1CNCCO1)S(=O)(=O)C(F)(F)F)N(CCC1CNCCO1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C16H24F6N4O8S2/c17-15(18,19)35(29,30)25(5-1-11-9-23-3-7-33-11)13(27)14(28)26(36(31,32)16(20,21)22)6-2-12-10-24-4-8-34-12/h11-12,23-24H,1-10H2
InChIKeyUJLQHXBOFVPYMQ-UHFFFAOYSA-N
XLogP-0.90
TPSA151.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.51
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-2-ylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 66427934
2-morpholin-2-ylethanol;hydrofluoride
CID 69116594
1,3-di(morpholin-2-yl)propan-1-one
CID 174895095
2-cyclobutyl-N-methyl-N-(2-morpholin-2-ylethyl)ethanamine
CID 115239302
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)acetamide;hydrochloride
CID 14839574
2-methylmorpholine;2,2,2-trifluoroacetic acid
CID 68841730
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-2-ylethyl)amino]acetate
CID 68507128
4-morpholin-2-ylbutan-1-ol
CID 66968859
N-methyl-N-(2-morpholin-2-ylethyl)cyclopentanamine
CID 66428985
N-methyl-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66434341
2-(morpholin-2-ylmethyl)morpholine
CID 18506039
N-butyl-N-methyl-2-morpholin-2-ylacetamide
CID 66433567

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The IUPAC name of N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide (CID 23337382) is N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide.
What is the SMILES notation for N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The canonical SMILES for N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide is O=C(C(=O)N(CCC1CNCCO1)S(=O)(=O)C(F)(F)F)N(CCC1CNCCO1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The InChIKey is UJLQHXBOFVPYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F6N4O8S2/c17-15(18,19)35(29,30)25(5-1-11-9-23-3-7-33-11)13(27)14(28)26(36(31,32)16(20,21)22)6-2-12-10-24-4-8-34-12/h11-12,23-24H,1-10H2.
What are the key properties of N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide?
N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide has a molecular weight of 578.51 g/mol, XLogP of -0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-morpholin-2-ylethyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide is sourced from PubChem (CID 23337382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).