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

C12H19FN4O3S — CID 126568332

IUPAC1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
SMILESCC(C)OC1CC(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)
InChIKeyXPUHZWXTGCBOEF-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.28
Rot. Bonds4

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

1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide (PubChem CID 126568332) has the molecular formula C12H19FN4O3S and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
PubChem CID126568332
Molecular FormulaC12H19FN4O3S
Molecular Weight318.37 g/mol
Exact Mass318.12
IUPAC Name1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
SMILESCC(C)OC1CC(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)
InChIKeyXPUHZWXTGCBOEF-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide (CID 126568332) is 1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide is CC(C)OC1CC(S(N)(=O)=O)CN(c2ncc(F)cn2)C1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide?
The InChIKey is XPUHZWXTGCBOEF-UHFFFAOYSA-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).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide?
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 1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide is sourced from PubChem (CID 126568332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).