(1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide

C9H14FN3O3S — CID 122701611

IUPAC(1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
SMILESCCO[C@H](c1ncc(F)cn1)[C@H](C)S(N)(=O)=O
InChIInChI=1S/C9H14FN3O3S/c1-3-16-8(6(2)17(11,14)15)9-12-4-7(10)5-13-9/h4-6,8H,3H2,1-2H3,(H2,11,14,15)/t6-,8-/m0/s1
InChIKeyTWNYONHJKHCKQT-XPUUQOCRSA-N
MW263.29 g/mol
LogP0.37
Rot. Bonds5

About (1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide

(1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide (PubChem CID 122701611) has the molecular formula C9H14FN3O3S and a molecular weight of 263.29 g/mol. Its IUPAC name is (1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name(1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
PubChem CID122701611
Molecular FormulaC9H14FN3O3S
Molecular Weight263.29 g/mol
Exact Mass263.07
IUPAC Name(1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
SMILESCCO[C@H](c1ncc(F)cn1)[C@H](C)S(N)(=O)=O
InChIInChI=1S/C9H14FN3O3S/c1-3-16-8(6(2)17(11,14)15)9-12-4-7(10)5-13-9/h4-6,8H,3H2,1-2H3,(H2,11,14,15)/t6-,8-/m0/s1
InChIKeyTWNYONHJKHCKQT-XPUUQOCRSA-N
XLogP0.37
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.37
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
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
(3R,5S)-1-(5-fluoropyrimidin-2-yl)-5-methoxypiperidine-3-sulfonamide
CID 122701694
(2R)-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
CID 122701717

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide?
The IUPAC name of (1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide (CID 122701611) is (1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide.
What is the SMILES notation for (1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide?
The canonical SMILES for (1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide is CCO[C@H](c1ncc(F)cn1)[C@H](C)S(N)(=O)=O.
What is the InChIKey of (1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide?
The InChIKey is TWNYONHJKHCKQT-XPUUQOCRSA-N. The full InChI is InChI=1S/C9H14FN3O3S/c1-3-16-8(6(2)17(11,14)15)9-12-4-7(10)5-13-9/h4-6,8H,3H2,1-2H3,(H2,11,14,15)/t6-,8-/m0/s1.
What are the key properties of (1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide?
(1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide has a molecular weight of 263.29 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-ethoxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 122701611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).