N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide

C10H14F6N2O6S2 — CID 23337395

IUPACN,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide
SMILESCCCN(C(=O)C(=O)N(CCC)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H14F6N2O6S2/c1-3-5-17(25(21,22)9(11,12)13)7(19)8(20)18(6-4-2)26(23,24)10(14,15)16/h3-6H2,1-2H3
InChIKeyIZFQNCNOOQDREW-UHFFFAOYSA-N
MW436.35 g/mol
LogP1.16
Rot. Bonds6

About N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide

N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide (PubChem CID 23337395) has the molecular formula C10H14F6N2O6S2 and a molecular weight of 436.35 g/mol. Its IUPAC name is N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide.

Molecular Properties

Compound NameN,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide
PubChem CID23337395
Molecular FormulaC10H14F6N2O6S2
Molecular Weight436.35 g/mol
Exact Mass436.02
IUPAC NameN,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide
SMILESCCCN(C(=O)C(=O)N(CCC)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H14F6N2O6S2/c1-3-5-17(25(21,22)9(11,12)13)7(19)8(20)18(6-4-2)26(23,24)10(14,15)16/h3-6H2,1-2H3
InChIKeyIZFQNCNOOQDREW-UHFFFAOYSA-N
XLogP1.16
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The IUPAC name of N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide (CID 23337395) is N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide.
What is the SMILES notation for N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The canonical SMILES for N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide is CCCN(C(=O)C(=O)N(CCC)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide?
The InChIKey is IZFQNCNOOQDREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O6S2/c1-3-5-17(25(21,22)9(11,12)13)7(19)8(20)18(6-4-2)26(23,24)10(14,15)16/h3-6H2,1-2H3.
What are the key properties of N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide?
N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide has a molecular weight of 436.35 g/mol, XLogP of 1.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipropyl-N,N'-bis(trifluoromethylsulfonyl)oxamide is sourced from PubChem (CID 23337395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).