5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine

C8H10FN3O2S — CID 71643527

IUPAC5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine
SMILESO=S(=O)(c1ncc(F)cn1)[C@@H]1CCNC1
InChIInChI=1S/C8H10FN3O2S/c9-6-3-11-8(12-4-6)15(13,14)7-1-2-10-5-7/h3-4,7,10H,1-2,5H2/t7-/m1/s1
InChIKeyZSMNHLKCCGXYHR-SSDOTTSWSA-N
MW231.25 g/mol
LogP-0.25
Rot. Bonds2

About 5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine

5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine (PubChem CID 71643527) has the molecular formula C8H10FN3O2S and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine
PubChem CID71643527
Molecular FormulaC8H10FN3O2S
Molecular Weight231.25 g/mol
Exact Mass231.05
IUPAC Name5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine
SMILESO=S(=O)(c1ncc(F)cn1)[C@@H]1CCNC1
InChIInChI=1S/C8H10FN3O2S/c9-6-3-11-8(12-4-6)15(13,14)7-1-2-10-5-7/h3-4,7,10H,1-2,5H2/t7-/m1/s1
InChIKeyZSMNHLKCCGXYHR-SSDOTTSWSA-N
XLogP-0.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine?
The IUPAC name of 5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine (CID 71643527) is 5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine.
What is the SMILES notation for 5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine?
The canonical SMILES for 5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine is O=S(=O)(c1ncc(F)cn1)[C@@H]1CCNC1.
What is the InChIKey of 5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine?
The InChIKey is ZSMNHLKCCGXYHR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10FN3O2S/c9-6-3-11-8(12-4-6)15(13,14)7-1-2-10-5-7/h3-4,7,10H,1-2,5H2/t7-/m1/s1.
What are the key properties of 5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine?
5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine has a molecular weight of 231.25 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine is sourced from PubChem (CID 71643527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).