3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide

C13H19F3N4O3S — CID 122353871

IUPAC3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide
SMILESCc1cc(CNS(=O)(=O)CCC(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C13H19F3N4O3S/c1-10-8-11(9-17-24(21,22)7-2-13(14,15)16)19-12(18-10)20-3-5-23-6-4-20/h8,17H,2-7,9H2,1H3
InChIKeyUBGYHMBKFYHNQB-UHFFFAOYSA-N
MW368.38 g/mol
LogP0.99
Rot. Bonds6

About 3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide

3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide (PubChem CID 122353871) has the molecular formula C13H19F3N4O3S and a molecular weight of 368.38 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide
PubChem CID122353871
Molecular FormulaC13H19F3N4O3S
Molecular Weight368.38 g/mol
Exact Mass368.11
IUPAC Name3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide
SMILESCc1cc(CNS(=O)(=O)CCC(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C13H19F3N4O3S/c1-10-8-11(9-17-24(21,22)7-2-13(14,15)16)19-12(18-10)20-3-5-23-6-4-20/h8,17H,2-7,9H2,1H3
InChIKeyUBGYHMBKFYHNQB-UHFFFAOYSA-N
XLogP0.99
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide (CID 122353871) is 3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide is Cc1cc(CNS(=O)(=O)CCC(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide?
The InChIKey is UBGYHMBKFYHNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O3S/c1-10-8-11(9-17-24(21,22)7-2-13(14,15)16)19-12(18-10)20-3-5-23-6-4-20/h8,17H,2-7,9H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide?
3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide has a molecular weight of 368.38 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 122353871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).