3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide

C10H14F3NO4S — CID 154028066

IUPAC3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide
SMILESO=C(CC(=O)C1CCCCC1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO4S/c11-10(12,13)19(17,18)14-9(16)6-8(15)7-4-2-1-3-5-7/h7H,1-6H2,(H,14,16)
InChIKeyUUJNUOXPAIIILL-UHFFFAOYSA-N
MW301.29 g/mol
LogP1.49
Rot. Bonds4

About 3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide

3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide (PubChem CID 154028066) has the molecular formula C10H14F3NO4S and a molecular weight of 301.29 g/mol. Its IUPAC name is 3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide
PubChem CID154028066
Molecular FormulaC10H14F3NO4S
Molecular Weight301.29 g/mol
Exact Mass301.06
IUPAC Name3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide
SMILESO=C(CC(=O)C1CCCCC1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H14F3NO4S/c11-10(12,13)19(17,18)14-9(16)6-8(15)7-4-2-1-3-5-7/h7H,1-6H2,(H,14,16)
InChIKeyUUJNUOXPAIIILL-UHFFFAOYSA-N
XLogP1.49
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(trifluoromethylsulfonyl)cyclooctanecarboxamide
CID 155170746
N-(trifluoromethylsulfonyl)cyclopentanecarboxamide
CID 100983151
2-cyclopentyl-N-(trifluoromethylsulfonyl)acetamide
CID 155170690
1-cycloheptyl-3,3,3-trifluoropropan-1-one
CID 82932563
2-cyclopentyl-2-oxoethanesulfonamide
CID 115018624
1-cyclohexyl-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butan-1-one
CID 58810825
4,4,4-tricyclohexyl-1,1-difluoro-2-oxo-N-(trifluoromethylsulfonyl)butane-1-sulfonamide
CID 58100529
1-cycloheptylbutan-1-one
CID 54353743
2-cyclohexylsulfonyl-1-cyclopentylethanone
CID 104756158
(E)-2-(2-cyclohexyl-2-oxoethyl)-3-ethylbut-2-enedioate
CID 22289458
tricyclohexylphosphane;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 158312526
N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethyl]sulfonylcycloheptanecarboxamide
CID 100983148

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide?
The IUPAC name of 3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide (CID 154028066) is 3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide?
The canonical SMILES for 3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide is O=C(CC(=O)C1CCCCC1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide?
The InChIKey is UUJNUOXPAIIILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4S/c11-10(12,13)19(17,18)14-9(16)6-8(15)7-4-2-1-3-5-7/h7H,1-6H2,(H,14,16).
What are the key properties of 3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide?
3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide has a molecular weight of 301.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-oxo-N-(trifluoromethylsulfonyl)propanamide is sourced from PubChem (CID 154028066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).