(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide

C8H12FN3O3S — CID 134541323

IUPAC(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide
SMILESCOC[C@H](Cc1ncc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C8H12FN3O3S/c1-15-5-7(16(10,13)14)2-8-11-3-6(9)4-12-8/h3-4,7H,2,5H2,1H3,(H2,10,13,14)/t7-/m0/s1
InChIKeyUAZRKTVGMDDETD-ZETCQYMHSA-N
MW249.27 g/mol
LogP-0.54
Rot. Bonds5

About (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide

(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide (PubChem CID 134541323) has the molecular formula C8H12FN3O3S and a molecular weight of 249.27 g/mol. Its IUPAC name is (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide
PubChem CID134541323
Molecular FormulaC8H12FN3O3S
Molecular Weight249.27 g/mol
Exact Mass249.06
IUPAC Name(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide
SMILESCOC[C@H](Cc1ncc(F)cn1)S(N)(=O)=O
InChIInChI=1S/C8H12FN3O3S/c1-15-5-7(16(10,13)14)2-8-11-3-6(9)4-12-8/h3-4,7H,2,5H2,1H3,(H2,10,13,14)/t7-/m0/s1
InChIKeyUAZRKTVGMDDETD-ZETCQYMHSA-N
XLogP-0.54
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonyl chloride
CID 134543066
1-(5-fluoropyrimidin-2-yl)butane-2-sulfonamide
CID 134541686
(2R)-1-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid
CID 134540996
(2S)-1-(5-methylpyrimidin-2-yl)-3-prop-2-enoxypropane-2-sulfonamide
CID 134541158
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 158186309
(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 122702200
5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine
CID 163656724
1-(5-fluoro-2-pyridinyl)-3-methoxypropan-2-ol
CID 63200549
(2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide
CID 159694547
5-(5-fluoro-2-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonamide
CID 104643384
1-(5-fluoropyrimidin-2-yl)-N-propan-2-ylmethanesulfonamide
CID 146509533
5-fluoro-2-(3-methylbutoxy)pyrimidine
CID 176962478

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide?
The IUPAC name of (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide (CID 134541323) is (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide.
What is the SMILES notation for (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide?
The canonical SMILES for (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide is COC[C@H](Cc1ncc(F)cn1)S(N)(=O)=O.
What is the InChIKey of (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide?
The InChIKey is UAZRKTVGMDDETD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12FN3O3S/c1-15-5-7(16(10,13)14)2-8-11-3-6(9)4-12-8/h3-4,7H,2,5H2,1H3,(H2,10,13,14)/t7-/m0/s1.
What are the key properties of (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide?
(2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide has a molecular weight of 249.27 g/mol, XLogP of -0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-fluoropyrimidin-2-yl)-3-methoxypropane-2-sulfonamide is sourced from PubChem (CID 134541323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).