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

C14H17FN2O3S — CID 110876028

IUPAC[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)c1ccsc1)N1CCOCC1
InChIInChI=1S/C14H17FN2O3S/c15-11-7-12(14(19)16-2-4-20-5-3-16)17(8-11)13(18)10-1-6-21-9-10/h1,6,9,11-12H,2-5,7-8H2/t11-,12-/m0/s1
InChIKeyIOJYYLBLBAKYQQ-RYUDHWBXSA-N
MW312.37 g/mol
LogP1.16
Rot. Bonds2

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

[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110876028) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110876028
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)c1ccsc1)N1CCOCC1
InChIInChI=1S/C14H17FN2O3S/c15-11-7-12(14(19)16-2-4-20-5-3-16)17(8-11)13(18)10-1-6-21-9-10/h1,6,9,11-12H,2-5,7-8H2/t11-,12-/m0/s1
InChIKeyIOJYYLBLBAKYQQ-RYUDHWBXSA-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

Analyze [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Morpholin-4-ylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 24817426
N-[2-(3-ethylmorpholin-4-yl)-2-oxoethyl]thiophene-3-carboxamide
CID 71977244
[(4aR,7aS)-4-[2-(dimethylamino)ethyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-thiophen-3-ylmethanone
CID 97377400
[(4aR,7aS)-4-propan-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-thiophen-3-ylmethanone
CID 97508942
[(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875949
[(2S,4S)-4-fluoro-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110876012
4-{2-[1-(Thiophene-3-carbonyl)piperidin-2-YL]ethyl}morpholine
CID 53193439
(3-(Morpholinomethyl)-1,4-thiazepan-4-yl)(thiophen-3-yl)methanone
CID 71801887
1-(2-Methoxyethyl)-3-[4-(3-thienylcarbonyl)piperazino]-2-pyrrolidinone
CID 91925727
[(5aS,9aS)-1-methyl-2,3,5,5a,6,7,9,9a-octahydropyrido[3,4-e][1,4]oxazepin-8-yl]-thiophen-3-ylmethanone
CID 110196084
4-Fluoro-4-(pyrrolidine-1-carbonyl)-1-(thiophene-3-carbonyl)piperidine
CID 132443237
N-(2-pyrrolidin-1-ylethyl)-N-[(3S)-1-(thiophene-3-carbonyl)piperidin-3-yl]cyclobutanecarboxamide
CID 164633875

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110876028) is [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@H](F)CN1C(=O)c1ccsc1)N1CCOCC1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is IOJYYLBLBAKYQQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c15-11-7-12(14(19)16-2-4-20-5-3-16)17(8-11)13(18)10-1-6-21-9-10/h1,6,9,11-12H,2-5,7-8H2/t11-,12-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4S)-4-fluoro-1-(thiophene-3-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-3-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110876028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).