[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

C15H19FN2O2S — CID 110875949

IUPAC[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)c1ccsc1)N1CCCCC1
InChIInChI=1S/C15H19FN2O2S/c16-12-8-13(15(20)17-5-2-1-3-6-17)18(9-12)14(19)11-4-7-21-10-11/h4,7,10,12-13H,1-3,5-6,8-9H2/t12-,13-/m0/s1
InChIKeyVJQCNEVFRWOPHU-STQMWFEESA-N
MW310.39 g/mol
LogP2.31
Rot. Bonds2

About [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone

[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 110875949) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
PubChem CID110875949
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)c1ccsc1)N1CCCCC1
InChIInChI=1S/C15H19FN2O2S/c16-12-8-13(15(20)17-5-2-1-3-6-17)18(9-12)14(19)11-4-7-21-10-11/h4,7,10,12-13H,1-3,5-6,8-9H2/t12-,13-/m0/s1
InChIKeyVJQCNEVFRWOPHU-STQMWFEESA-N
XLogP2.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone (CID 110875949) is [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is O=C([C@@H]1C[C@H](F)CN1C(=O)c1ccsc1)N1CCCCC1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is VJQCNEVFRWOPHU-STQMWFEESA-N. The full InChI is InChI=1S/C15H19FN2O2S/c16-12-8-13(15(20)17-5-2-1-3-6-17)18(9-12)14(19)11-4-7-21-10-11/h4,7,10,12-13H,1-3,5-6,8-9H2/t12-,13-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone?
[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 310.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110875949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).