3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine

C12H13NO5S3 — CID 71809438

IUPAC3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine
SMILESO=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C12H13NO5S3/c14-20(15,9-10-3-1-5-18-10)11-7-13(8-11)21(16,17)12-4-2-6-19-12/h1-6,11H,7-9H2
InChIKeyXGTAVZFVYMPBJW-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.33
Rot. Bonds5

About 3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine

3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine (PubChem CID 71809438) has the molecular formula C12H13NO5S3 and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine
PubChem CID71809438
Molecular FormulaC12H13NO5S3
Molecular Weight347.44 g/mol
Exact Mass347.00
IUPAC Name3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine
SMILESO=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C12H13NO5S3/c14-20(15,9-10-3-1-5-18-10)11-7-13(8-11)21(16,17)12-4-2-6-19-12/h1-6,11H,7-9H2
InChIKeyXGTAVZFVYMPBJW-UHFFFAOYSA-N
XLogP1.33
TPSA84.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine?
The IUPAC name of 3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine (CID 71809438) is 3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine.
What is the SMILES notation for 3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine?
The canonical SMILES for 3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine is O=S(=O)(Cc1ccco1)C1CN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of 3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine?
The InChIKey is XGTAVZFVYMPBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5S3/c14-20(15,9-10-3-1-5-18-10)11-7-13(8-11)21(16,17)12-4-2-6-19-12/h1-6,11H,7-9H2.
What are the key properties of 3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine?
3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine has a molecular weight of 347.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfonyl)-1-thiophen-2-ylsulfonylazetidine is sourced from PubChem (CID 71809438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).