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

C14H17FN2O3S — CID 110876012

IUPAC[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C14H17FN2O3S/c15-10-8-11(13(18)16-3-5-20-6-4-16)17(9-10)14(19)12-2-1-7-21-12/h1-2,7,10-11H,3-6,8-9H2/t10-,11-/m0/s1
InChIKeyGAFSLALLQMEOJJ-QWRGUYRKSA-N
MW312.37 g/mol
LogP1.16
Rot. Bonds2

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

[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110876012) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110876012
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C14H17FN2O3S/c15-10-8-11(13(18)16-3-5-20-6-4-16)17(9-10)14(19)12-2-1-7-21-12/h1-2,7,10-11H,3-6,8-9H2/t10-,11-/m0/s1
InChIKeyGAFSLALLQMEOJJ-QWRGUYRKSA-N
XLogP1.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110876012) is [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@H](F)CN1C(=O)c1cccs1)N1CCOCC1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GAFSLALLQMEOJJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c15-10-8-11(13(18)16-3-5-20-6-4-16)17(9-10)14(19)12-2-1-7-21-12/h1-2,7,10-11H,3-6,8-9H2/t10-,11-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110876012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).