3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide

C13H19F3N4O2S — CID 122353280

IUPAC3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C13H19F3N4O2S/c14-13(15,16)5-9-23(21,22)18-10-11-4-6-17-12(19-11)20-7-2-1-3-8-20/h4,6,18H,1-3,5,7-10H2
InChIKeySVLQIIKUITURAU-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.84
Rot. Bonds6

About 3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide

3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide (PubChem CID 122353280) has the molecular formula C13H19F3N4O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide
PubChem CID122353280
Molecular FormulaC13H19F3N4O2S
Molecular Weight352.38 g/mol
Exact Mass352.12
IUPAC Name3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C13H19F3N4O2S/c14-13(15,16)5-9-23(21,22)18-10-11-4-6-17-12(19-11)20-7-2-1-3-8-20/h4,6,18H,1-3,5,7-10H2
InChIKeySVLQIIKUITURAU-UHFFFAOYSA-N
XLogP1.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide (CID 122353280) is 3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)NCc1ccnc(N2CCCCC2)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide?
The InChIKey is SVLQIIKUITURAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2S/c14-13(15,16)5-9-23(21,22)18-10-11-4-6-17-12(19-11)20-7-2-1-3-8-20/h4,6,18H,1-3,5,7-10H2.
What are the key properties of 3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide?
3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide has a molecular weight of 352.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 122353280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).