2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide

C15H31F3N4O3S — CID 140802614

IUPAC2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide
SMILESCCN(CC)CCN(CCN(CC)CC)CC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H31F3N4O3S/c1-5-20(6-2)9-11-22(12-10-21(7-3)8-4)13-14(23)19-26(24,25)15(16,17)18/h5-13H2,1-4H3,(H,19,23)
InChIKeyKLZFKPGKIITEKU-UHFFFAOYSA-N
MW404.50 g/mol
LogP0.94
Rot. Bonds13

About 2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide

2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide (PubChem CID 140802614) has the molecular formula C15H31F3N4O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide
PubChem CID140802614
Molecular FormulaC15H31F3N4O3S
Molecular Weight404.50 g/mol
Exact Mass404.21
IUPAC Name2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide
SMILESCCN(CC)CCN(CCN(CC)CC)CC(=O)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C15H31F3N4O3S/c1-5-20(6-2)9-11-22(12-10-21(7-3)8-4)13-14(23)19-26(24,25)15(16,17)18/h5-13H2,1-4H3,(H,19,23)
InChIKeyKLZFKPGKIITEKU-UHFFFAOYSA-N
XLogP0.94
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide?
The IUPAC name of 2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide (CID 140802614) is 2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide.
What is the SMILES notation for 2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide?
The canonical SMILES for 2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide is CCN(CC)CCN(CCN(CC)CC)CC(=O)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide?
The InChIKey is KLZFKPGKIITEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N4O3S/c1-5-20(6-2)9-11-22(12-10-21(7-3)8-4)13-14(23)19-26(24,25)15(16,17)18/h5-13H2,1-4H3,(H,19,23).
What are the key properties of 2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide?
2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide has a molecular weight of 404.50 g/mol, XLogP of 0.94, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(diethylamino)ethyl]amino]-N-(trifluoromethylsulfonyl)acetamide is sourced from PubChem (CID 140802614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).