trifluoro-N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide

C10H16F3NO3S — CID 68003419

IUPAC1,1,1-trifluoro-N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide
SMILESCCC(C1CCC(=O)CC1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3S/c1-2-9(7-3-5-8(15)6-4-7)14-18(16,17)10(11,12)13/h7,9,14H,2-6H2,1H3
InChIKeyVFMXXNMPCUSWHI-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.90
Rot. Bonds4

About trifluoro-N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide

trifluoro-N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide (PubChem CID 68003419) has the molecular formula C10H16F3NO3S and a molecular weight of 287.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide.

Molecular Properties

Compound Nametrifluoro-N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide
PubChem CID68003419
Molecular FormulaC10H16F3NO3S
Molecular Weight287.30 g/mol
Exact Mass287.08
IUPAC Name1,1,1-trifluoro-N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide
SMILESCCC(C1CCC(=O)CC1)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3S/c1-2-9(7-3-5-8(15)6-4-7)14-18(16,17)10(11,12)13/h7,9,14H,2-6H2,1H3
InChIKeyVFMXXNMPCUSWHI-UHFFFAOYSA-N
XLogP1.90
TPSA71.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity390

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of trifluoro-N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide?
The IUPAC name of trifluoro-N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide (CID 68003419) is 1,1,1-trifluoro-N-[1-(4-oxocyclohexyl)propyl]methanesulfonamide.
What is the SMILES notation for trifluoro-N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide?
The canonical SMILES for trifluoro-N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide is CCC(C1CCC(=O)CC1)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of trifluoro-N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide?
The InChIKey is VFMXXNMPCUSWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3S/c1-2-9(7-3-5-8(15)6-4-7)14-18(16,17)10(11,12)13/h7,9,14H,2-6H2,1H3.
What are the key properties of trifluoro-N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide?
trifluoro-N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide has a molecular weight of 287.30 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-N-(1-(4-oxocyclohexyl)propyl)methanesulfonamide is sourced from PubChem (CID 68003419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).