N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

C10H19F3N2O2S — CID 43602821

IUPACN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H19F3N2O2S/c1-2-7-18(16,17)15(8-10(11,12)13)9-3-5-14-6-4-9/h9,14H,2-8H2,1H3
InChIKeyGSDTYSHTMJQORY-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.34
Rot. Bonds5

About N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (PubChem CID 43602821) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
PubChem CID43602821
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H19F3N2O2S/c1-2-7-18(16,17)15(8-10(11,12)13)9-3-5-14-6-4-9/h9,14H,2-8H2,1H3
InChIKeyGSDTYSHTMJQORY-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide (CID 43602821) is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is CCCS(=O)(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
The InChIKey is GSDTYSHTMJQORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-2-7-18(16,17)15(8-10(11,12)13)9-3-5-14-6-4-9/h9,14H,2-8H2,1H3.
What are the key properties of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide?
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide is sourced from PubChem (CID 43602821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).