3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine

C9H10F3NO3S3 — CID 126833455

IUPAC3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine
SMILESCOc1ccsc1S(=O)(=O)N1CCSC1C(F)(F)F
InChIInChI=1S/C9H10F3NO3S3/c1-16-6-2-4-17-7(6)19(14,15)13-3-5-18-8(13)9(10,11)12/h2,4,8H,3,5H2,1H3
InChIKeyHIIYYMHYRXDIPE-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.38
Rot. Bonds3

About 3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine

3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine (PubChem CID 126833455) has the molecular formula C9H10F3NO3S3 and a molecular weight of 333.38 g/mol. Its IUPAC name is 3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine
PubChem CID126833455
Molecular FormulaC9H10F3NO3S3
Molecular Weight333.38 g/mol
Exact Mass332.98
IUPAC Name3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine
SMILESCOc1ccsc1S(=O)(=O)N1CCSC1C(F)(F)F
InChIInChI=1S/C9H10F3NO3S3/c1-16-6-2-4-17-7(6)19(14,15)13-3-5-18-8(13)9(10,11)12/h2,4,8H,3,5H2,1H3
InChIKeyHIIYYMHYRXDIPE-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine?
The IUPAC name of 3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine (CID 126833455) is 3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine?
The canonical SMILES for 3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine is COc1ccsc1S(=O)(=O)N1CCSC1C(F)(F)F.
What is the InChIKey of 3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine?
The InChIKey is HIIYYMHYRXDIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S3/c1-16-6-2-4-17-7(6)19(14,15)13-3-5-18-8(13)9(10,11)12/h2,4,8H,3,5H2,1H3.
What are the key properties of 3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine?
3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine has a molecular weight of 333.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxythiophen-2-yl)sulfonyl-2-(trifluoromethyl)-1,3-thiazolidine is sourced from PubChem (CID 126833455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).