methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate

C9H11NO4S3 — CID 3825208

IUPACmethyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate
SMILESCOC(=O)C1SCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C9H11NO4S3/c1-14-9(11)8-10(4-6-16-8)17(12,13)7-3-2-5-15-7/h2-3,5,8H,4,6H2,1H3
InChIKeyMOAKWQNOEOTTMY-UHFFFAOYSA-N
MW293.39 g/mol
LogP0.98
Rot. Bonds3

About methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate

methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate (PubChem CID 3825208) has the molecular formula C9H11NO4S3 and a molecular weight of 293.39 g/mol. Its IUPAC name is methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate
PubChem CID3825208
Molecular FormulaC9H11NO4S3
Molecular Weight293.39 g/mol
Exact Mass292.99
IUPAC Namemethyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate
SMILESCOC(=O)C1SCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C9H11NO4S3/c1-14-9(11)8-10(4-6-16-8)17(12,13)7-3-2-5-15-7/h2-3,5,8H,4,6H2,1H3
InChIKeyMOAKWQNOEOTTMY-UHFFFAOYSA-N
XLogP0.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(4-butoxyphenyl)sulfonyl-1,3-thiazolidine-2-carboxylate
CID 3729057
methyl (2R)-4-(4-methoxybenzoyl)-1-thiophen-2-ylsulfonylpiperazine-2-carboxylate
CID 7161685
methyl 3-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonyl-1,3-thiazolidine-2-carboxylate
CID 2742796
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
methyl (2R,4S)-4-(2-fluorophenoxy)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxylate
CID 99875204
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
(2S)-1-thiophen-2-ylsulfonylpiperidine-2-carbonyl chloride
CID 42281719
2-methyl-1-thiophen-2-ylsulfonylpiperidin-4-amine
CID 115312618
2-methyl-1,4-bis(thiophen-2-ylsulfonyl)piperazine
CID 42930811
N-(3,4-dimethylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341686
(2S)-N-(4-methylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 27452267
N-(2-methoxyphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341707

Frequently Asked Questions

What is the IUPAC name of methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate?
The IUPAC name of methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate (CID 3825208) is methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate.
What is the SMILES notation for methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate?
The canonical SMILES for methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate is COC(=O)C1SCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate?
The InChIKey is MOAKWQNOEOTTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4S3/c1-14-9(11)8-10(4-6-16-8)17(12,13)7-3-2-5-15-7/h2-3,5,8H,4,6H2,1H3.
What are the key properties of methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate?
methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-thiophen-2-ylsulfonyl-1,3-thiazolidine-2-carboxylate is sourced from PubChem (CID 3825208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).