[(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone

C14H17FN2O3S3 — CID 52508717

IUPAC[(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C([C@H]1CSCN1S(=O)(=O)c1cccc(F)c1)N1CCSCC1
InChIInChI=1S/C14H17FN2O3S3/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-/m1/s1
InChIKeyXXTCIRWIRBQOCX-CYBMUJFWSA-N
MW376.50 g/mol
LogP1.46
Rot. Bonds3

About [(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone

[(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 52508717) has the molecular formula C14H17FN2O3S3 and a molecular weight of 376.50 g/mol. Its IUPAC name is [(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID52508717
Molecular FormulaC14H17FN2O3S3
Molecular Weight376.50 g/mol
Exact Mass376.04
IUPAC Name[(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C([C@H]1CSCN1S(=O)(=O)c1cccc(F)c1)N1CCSCC1
InChIInChI=1S/C14H17FN2O3S3/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-/m1/s1
InChIKeyXXTCIRWIRBQOCX-CYBMUJFWSA-N
XLogP1.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
CID 34262312
[3-(3,4-dimethylphenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49245479
[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 51307377
3-(3-chlorophenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43113873
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 27828098
thiomorpholin-4-yl-[(4S)-3-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,3-thiazolidin-4-yl]methanone
CID 52802690
methyl 1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 43409871
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
methyl (4S)-3-(benzenesulfonyl)-1,3-thiazolidine-4-carboxylate
CID 7997286
5-(3-fluorophenyl)sulfonyl-2-thia-5-azabicyclo[2.2.1]heptane
CID 122273000
4-(3-acetylphenyl)sulfonylthiomorpholine-3-carboxylic acid
CID 78979824
3-(3-fluoro-4-methoxyphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361514

Frequently Asked Questions

What is the IUPAC name of [(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone (CID 52508717) is [(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone is O=C([C@H]1CSCN1S(=O)(=O)c1cccc(F)c1)N1CCSCC1.
What is the InChIKey of [(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is XXTCIRWIRBQOCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17FN2O3S3/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-/m1/s1.
What are the key properties of [(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
[(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 376.50 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 52508717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).