[(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone

C14H17FN2O4S2 — CID 34262312

IUPAC[(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C14H17FN2O4S2/c15-11-2-1-3-12(8-11)23(19,20)17-10-22-9-13(17)14(18)16-4-6-21-7-5-16/h1-3,8,13H,4-7,9-10H2/t13-/m0/s1
InChIKeyORAOVNNTPDSZRE-ZDUSSCGKSA-N
MW360.43 g/mol
LogP0.75
Rot. Bonds3

About [(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone

[(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 34262312) has the molecular formula C14H17FN2O4S2 and a molecular weight of 360.43 g/mol. Its IUPAC name is [(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
PubChem CID34262312
Molecular FormulaC14H17FN2O4S2
Molecular Weight360.43 g/mol
Exact Mass360.06
IUPAC Name[(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C14H17FN2O4S2/c15-11-2-1-3-12(8-11)23(19,20)17-10-22-9-13(17)14(18)16-4-6-21-7-5-16/h1-3,8,13H,4-7,9-10H2/t13-/m0/s1
InChIKeyORAOVNNTPDSZRE-ZDUSSCGKSA-N
XLogP0.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 52508717
[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307377
[3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49245479
3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43113873
[(2S)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110285997
[(2S)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110286067
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 27828098
methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409871
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
[(2R,4S)-1-(benzenesulfonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196831
[4-chloro-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 4638266
[4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42680068

Frequently Asked Questions

What is the IUPAC name of [(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone (CID 34262312) is [(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone is O=C([C@@H]1CSCN1S(=O)(=O)c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of [(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is ORAOVNNTPDSZRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17FN2O4S2/c15-11-2-1-3-12(8-11)23(19,20)17-10-22-9-13(17)14(18)16-4-6-21-7-5-16/h1-3,8,13H,4-7,9-10H2/t13-/m0/s1.
What are the key properties of [(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone?
[(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 360.43 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 34262312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).