1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide

C8H12FN3O3S — CID 122702643

IUPAC1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
SMILESCOC(c1ncc(F)cn1)C(C)S(N)(=O)=O
InChIInChI=1S/C8H12FN3O3S/c1-5(16(10,13)14)7(15-2)8-11-3-6(9)4-12-8/h3-5,7H,1-2H3,(H2,10,13,14)
InChIKeyOPQLXIPWDATKSP-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.02
Rot. Bonds4

About 1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide

1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide (PubChem CID 122702643) has the molecular formula C8H12FN3O3S and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
PubChem CID122702643
Molecular FormulaC8H12FN3O3S
Molecular Weight249.27 g/mol
Exact Mass249.06
IUPAC Name1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
SMILESCOC(c1ncc(F)cn1)C(C)S(N)(=O)=O
InChIInChI=1S/C8H12FN3O3S/c1-5(16(10,13)14)7(15-2)8-11-3-6(9)4-12-8/h3-5,7H,1-2H3,(H2,10,13,14)
InChIKeyOPQLXIPWDATKSP-UHFFFAOYSA-N
XLogP-0.02
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10221162, Example 737.0
CID 122701984
5-Fluoro-2-((1-((3,3,3-trifluoropropyl)sulfonyl)pyrrolidin-3-yl)oxy)pyrimidine
CID 121017668
2-[(3S)-1-ethylsulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 129524224
[(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxypropyl] methanesulfonate
CID 57662542
2-(5-Fluoropyrimidin-2-yl)-2-methoxyethanamine
CID 68849666
5-Fluoro-2-(propan-2-yloxymethyl)pyrimidine
CID 89274436
[(2S)-2-(5-fluoropyrimidin-2-yl)-2-hydroxyethyl] methanesulfonate
CID 89392669
1-(5-Fluoropyrimidin-2-yl)propane-2-sulfonamide
CID 122701319
(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
CID 122701425
(1R,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 122701438
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-propan-2-yloxypiperidine-3-sulfonamide
CID 122701506
(3S,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122701546

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide (CID 122702643) is 1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide is COC(c1ncc(F)cn1)C(C)S(N)(=O)=O.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide?
The InChIKey is OPQLXIPWDATKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O3S/c1-5(16(10,13)14)7(15-2)8-11-3-6(9)4-12-8/h3-5,7H,1-2H3,(H2,10,13,14).
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide?
1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide has a molecular weight of 249.27 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 122702643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).