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

C12H19FN4O3S — CID 126568334

IUPACN-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
SMILESCC(C)OC1CNCC(S(=O)(=O)Nc2ncc(F)cn2)C1
InChIInChI=1S/C12H19FN4O3S/c1-8(2)20-10-3-11(7-14-6-10)21(18,19)17-12-15-4-9(13)5-16-12/h4-5,8,10-11,14H,3,6-7H2,1-2H3,(H,15,16,17)
InChIKeyZTRWJADRZBHENB-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.51
Rot. Bonds5

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

N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide (PubChem CID 126568334) has the molecular formula C12H19FN4O3S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
PubChem CID126568334
Molecular FormulaC12H19FN4O3S
Molecular Weight318.37 g/mol
Exact Mass318.12
IUPAC NameN-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
SMILESCC(C)OC1CNCC(S(=O)(=O)Nc2ncc(F)cn2)C1
InChIInChI=1S/C12H19FN4O3S/c1-8(2)20-10-3-11(7-14-6-10)21(18,19)17-12-15-4-9(13)5-16-12/h4-5,8,10-11,14H,3,6-7H2,1-2H3,(H,15,16,17)
InChIKeyZTRWJADRZBHENB-UHFFFAOYSA-N
XLogP0.51
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide?
The IUPAC name of N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide (CID 126568334) is N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide.
What is the SMILES notation for N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide?
The canonical SMILES for N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide is CC(C)OC1CNCC(S(=O)(=O)Nc2ncc(F)cn2)C1.
What is the InChIKey of N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide?
The InChIKey is ZTRWJADRZBHENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O3S/c1-8(2)20-10-3-11(7-14-6-10)21(18,19)17-12-15-4-9(13)5-16-12/h4-5,8,10-11,14H,3,6-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide?
N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide has a molecular weight of 318.37 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide is sourced from PubChem (CID 126568334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).