(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide

C12H19FN4O3S — CID 122701850

IUPAC(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
SMILESCC(C)O[C@@H]1C[C@@H](S(N)(=O)=O)CN(c2ncc(F)cn2)C1
InChIInChI=1S/C12H19FN4O3S/c1-8(2)20-10-3-11(21(14,18)19)7-17(6-10)12-15-4-9(13)5-16-12/h4-5,8,10-11H,3,6-7H2,1-2H3,(H2,14,18,19)/t10-,11-/m1/s1
InChIKeyXPUHZWXTGCBOEF-GHMZBOCLSA-N
MW318.37 g/mol
LogP0.28
Rot. Bonds4

About (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide

(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide (PubChem CID 122701850) has the molecular formula C12H19FN4O3S and a molecular weight of 318.37 g/mol. Its IUPAC name is (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
PubChem CID122701850
Molecular FormulaC12H19FN4O3S
Molecular Weight318.37 g/mol
Exact Mass318.12
IUPAC Name(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
SMILESCC(C)O[C@@H]1C[C@@H](S(N)(=O)=O)CN(c2ncc(F)cn2)C1
InChIInChI=1S/C12H19FN4O3S/c1-8(2)20-10-3-11(21(14,18)19)7-17(6-10)12-15-4-9(13)5-16-12/h4-5,8,10-11H,3,6-7H2,1-2H3,(H2,14,18,19)/t10-,11-/m1/s1
InChIKeyXPUHZWXTGCBOEF-GHMZBOCLSA-N
XLogP0.28
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide with MolForge

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Related Compounds

8-(5-Fluoropyrimidin-2-yl)-4-propylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739085
8-(5-Fluoropyrimidin-2-yl)-4-methylsulfonyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739111
4-Ethylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739113
4-Cyclopropylsulfonyl-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 131650300
N-{2-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]ethyl}-N-methylmethanesulfonamide
CID 50962616
2-[(3S)-1-ethylsulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 129524224
[2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl] methanesulfonate
CID 21706380
[1-(5-Fluoro-2-pyrimidinyl)-4-piperidinyl]methyl methanesulfonate
CID 86638746
(+/-)-1-[1-(5-Fluoro-2-pyrimidinyl)-4-piperidinyl]ethyl methanesulfonate
CID 86638748
(7R,8aS)-7-methanesulfonyloxy-2-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
CID 86752023
[(7R)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl] methanesulfonate
CID 88327770
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-hydroxypiperidine-3-sulfonamide
CID 122701377

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide?
The IUPAC name of (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide (CID 122701850) is (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide.
What is the SMILES notation for (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide?
The canonical SMILES for (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide is CC(C)O[C@@H]1C[C@@H](S(N)(=O)=O)CN(c2ncc(F)cn2)C1.
What is the InChIKey of (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide?
The InChIKey is XPUHZWXTGCBOEF-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H19FN4O3S/c1-8(2)20-10-3-11(21(14,18)19)7-17(6-10)12-15-4-9(13)5-16-12/h4-5,8,10-11H,3,6-7H2,1-2H3,(H2,14,18,19)/t10-,11-/m1/s1.
What are the key properties of (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide?
(3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide has a molecular weight of 318.37 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide is sourced from PubChem (CID 122701850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).