5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine

C12H12FN3O3S2 — CID 129355039

IUPAC5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine
SMILESO=S(=O)(c1cccs1)N1CC[C@@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C12H12FN3O3S2/c13-9-6-14-12(15-7-9)19-10-3-4-16(8-10)21(17,18)11-2-1-5-20-11/h1-2,5-7,10H,3-4,8H2/t10-/m1/s1
InChIKeyCWAKDHSLXFGBSC-SNVBAGLBSA-N
MW329.38 g/mol
LogP1.52
Rot. Bonds4

About 5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine

5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine (PubChem CID 129355039) has the molecular formula C12H12FN3O3S2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine
PubChem CID129355039
Molecular FormulaC12H12FN3O3S2
Molecular Weight329.38 g/mol
Exact Mass329.03
IUPAC Name5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine
SMILESO=S(=O)(c1cccs1)N1CC[C@@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C12H12FN3O3S2/c13-9-6-14-12(15-7-9)19-10-3-4-16(8-10)21(17,18)11-2-1-5-20-11/h1-2,5-7,10H,3-4,8H2/t10-/m1/s1
InChIKeyCWAKDHSLXFGBSC-SNVBAGLBSA-N
XLogP1.52
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258626
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 122258636
N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine
CID 90638074
5-chloro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798965
1-thiophen-2-ylsulfonylpyrrolidin-3-amine
CID 62069517
5-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 119100430
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2,1,3-benzothiadiazole
CID 122267264
3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100652937
(3S)-3-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine
CID 95632946
4-thiophen-3-yloxy-1-thiophen-2-ylsulfonylpiperidine
CID 122246250
5-fluoro-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 119100778
5-fluoro-2-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018022

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine?
The IUPAC name of 5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine (CID 129355039) is 5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine.
What is the SMILES notation for 5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine?
The canonical SMILES for 5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine is O=S(=O)(c1cccs1)N1CC[C@@H](Oc2ncc(F)cn2)C1.
What is the InChIKey of 5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine?
The InChIKey is CWAKDHSLXFGBSC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12FN3O3S2/c13-9-6-14-12(15-7-9)19-10-3-4-16(8-10)21(17,18)11-2-1-5-20-11/h1-2,5-7,10H,3-4,8H2/t10-/m1/s1.
What are the key properties of 5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine?
5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine has a molecular weight of 329.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine is sourced from PubChem (CID 129355039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).