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

C12H22F3N3O2S — CID 43602826

IUPACN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(N1CCCCC1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H22F3N3O2S/c13-12(14,15)10-18(11-4-6-16-7-5-11)21(19,20)17-8-2-1-3-9-17/h11,16H,1-10H2
InChIKeyJVLGUONHVBFBDW-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.33
Rot. Bonds4

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

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 43602826) has the molecular formula C12H22F3N3O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID43602826
Molecular FormulaC12H22F3N3O2S
Molecular Weight329.39 g/mol
Exact Mass329.14
IUPAC NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(N1CCCCC1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H22F3N3O2S/c13-12(14,15)10-18(11-4-6-16-7-5-11)21(19,20)17-8-2-1-3-9-17/h11,16H,1-10H2
InChIKeyJVLGUONHVBFBDW-UHFFFAOYSA-N
XLogP1.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.33
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)piperidine-1-sulfonamide?
The IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 43602826) is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is O=S(=O)(N1CCCCC1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is JVLGUONHVBFBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2S/c13-12(14,15)10-18(11-4-6-16-7-5-11)21(19,20)17-8-2-1-3-9-17/h11,16H,1-10H2.
What are the key properties of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 329.39 g/mol, XLogP of 1.33, 4 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)piperidine-1-sulfonamide is sourced from PubChem (CID 43602826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).