2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide

C10H17F3N2O3S — CID 175760604

IUPAC2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide
SMILESCCCC1CC(S(N)(=O)=O)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3S/c1-2-3-7-6-8(19(14,17)18)4-5-15(7)9(16)10(11,12)13/h7-8H,2-6H2,1H3,(H2,14,17,18)
InChIKeyJYCAFMHVLQLPID-UHFFFAOYSA-N
MW302.32 g/mol
LogP1.00
Rot. Bonds3

About 2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide

2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide (PubChem CID 175760604) has the molecular formula C10H17F3N2O3S and a molecular weight of 302.32 g/mol. Its IUPAC name is 2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide.

Molecular Properties

Compound Name2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide
PubChem CID175760604
Molecular FormulaC10H17F3N2O3S
Molecular Weight302.32 g/mol
Exact Mass302.09
IUPAC Name2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide
SMILESCCCC1CC(S(N)(=O)=O)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3S/c1-2-3-7-6-8(19(14,17)18)4-5-15(7)9(16)10(11,12)13/h7-8H,2-6H2,1H3,(H2,14,17,18)
InChIKeyJYCAFMHVLQLPID-UHFFFAOYSA-N
XLogP1.00
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide?
The IUPAC name of 2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide (CID 175760604) is 2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide.
What is the SMILES notation for 2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide?
The canonical SMILES for 2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide is CCCC1CC(S(N)(=O)=O)CCN1C(=O)C(F)(F)F.
What is the InChIKey of 2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide?
The InChIKey is JYCAFMHVLQLPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3S/c1-2-3-7-6-8(19(14,17)18)4-5-15(7)9(16)10(11,12)13/h7-8H,2-6H2,1H3,(H2,14,17,18).
What are the key properties of 2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide?
2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide has a molecular weight of 302.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(2,2,2-trifluoroacetyl)piperidine-4-sulfonamide is sourced from PubChem (CID 175760604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).