(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide

C16H24F2N6O6S2 — CID 158186309

IUPAC(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
SMILESCO[C@@H](c1ncc(F)cn1)[C@H](C)S(N)(=O)=O.CO[C@H](c1ncc(F)cn1)[C@@H](C)S(N)(=O)=O
InChIInChI=1S/2C8H12FN3O3S/c2*1-5(16(10,13)14)7(15-2)8-11-3-6(9)4-12-8/h2*3-5,7H,1-2H3,(H2,10,13,14)/t2*5-,7+/m10/s1
InChIKeyFZEIMYVTNGAAMZ-BOJIXVGNSA-N
MW498.53 g/mol
LogP-0.04
Rot. Bonds8

About (1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide

(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide (PubChem CID 158186309) has the molecular formula C16H24F2N6O6S2 and a molecular weight of 498.53 g/mol. Its IUPAC name is (1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide.

Molecular Properties

Compound Name(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
PubChem CID158186309
Molecular FormulaC16H24F2N6O6S2
Molecular Weight498.53 g/mol
Exact Mass498.12
IUPAC Name(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
SMILESCO[C@@H](c1ncc(F)cn1)[C@H](C)S(N)(=O)=O.CO[C@H](c1ncc(F)cn1)[C@@H](C)S(N)(=O)=O
InChIInChI=1S/2C8H12FN3O3S/c2*1-5(16(10,13)14)7(15-2)8-11-3-6(9)4-12-8/h2*3-5,7H,1-2H3,(H2,10,13,14)/t2*5-,7+/m10/s1
InChIKeyFZEIMYVTNGAAMZ-BOJIXVGNSA-N
XLogP-0.04
TPSA190.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

(1S,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide
CID 122702200
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxy-N,N-bis[(4-methoxyphenyl)methyl]propane-2-sulfonamide
CID 134542446
1-(5-methylpyrimidin-2-yl)-1-propan-2-yloxypropane-2-sulfonamide
CID 122702046
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide;5-fluoro-2-[(2R,3R)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine;5-fluoro-2-[(2S,3S)-3-pyrimidin-2-ylsulfonylbutan-2-yl]pyrimidine
CID 158967797
(1S)-1-ethoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide
CID 156514266
(2S)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide;(2R)-2-(5-fluoropyrimidin-2-yl)propane-1-sulfonamide
CID 159694547
(1R,2S)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide;(1S,2R)-1-(5-chloro-2-pyridinyl)-1-methoxypropane-2-sulfonamide
CID 161413357
5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine
CID 126560646
(2R,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2R,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3S)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride;(2S,3R)-3-(5-fluoropyrimidin-2-yl)butane-2-sulfonyl fluoride
CID 159127052
ethane;3-(5-fluoropyrimidin-2-yl)butane-2-sulfonic acid
CID 142359161
1-(5-fluoropyrimidin-2-yl)ethanamine
CID 50994814
(1S,2R)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122702502

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide?
The IUPAC name of (1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide (CID 158186309) is (1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide.
What is the SMILES notation for (1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide?
The canonical SMILES for (1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide is CO[C@@H](c1ncc(F)cn1)[C@H](C)S(N)(=O)=O.CO[C@H](c1ncc(F)cn1)[C@@H](C)S(N)(=O)=O.
What is the InChIKey of (1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide?
The InChIKey is FZEIMYVTNGAAMZ-BOJIXVGNSA-N. The full InChI is InChI=1S/2C8H12FN3O3S/c2*1-5(16(10,13)14)7(15-2)8-11-3-6(9)4-12-8/h2*3-5,7H,1-2H3,(H2,10,13,14)/t2*5-,7+/m10/s1.
What are the key properties of (1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide?
(1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide has a molecular weight of 498.53 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide;(1R,2R)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 158186309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).