3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide

C6H7NO2S — CID 15686556

IUPAC3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide
SMILESO=S1(=O)Cc2c[nH]cc2C1
InChIInChI=1S/C6H7NO2S/c8-10(9)3-5-1-7-2-6(5)4-10/h1-2,7H,3-4H2
InChIKeySQBIKFLDAFKKSZ-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.44
Rot. Bonds

About 3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide

3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide (PubChem CID 15686556) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide.

Molecular Properties

Compound Name3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide
PubChem CID15686556
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide
SMILESO=S1(=O)Cc2c[nH]cc2C1
InChIInChI=1S/C6H7NO2S/c8-10(9)3-5-1-7-2-6(5)4-10/h1-2,7H,3-4H2
InChIKeySQBIKFLDAFKKSZ-UHFFFAOYSA-N
XLogP0.44
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide?
The IUPAC name of 3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide (CID 15686556) is 3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide.
What is the SMILES notation for 3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide?
The canonical SMILES for 3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide is O=S1(=O)Cc2c[nH]cc2C1.
What is the InChIKey of 3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide?
The InChIKey is SQBIKFLDAFKKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c8-10(9)3-5-1-7-2-6(5)4-10/h1-2,7H,3-4H2.
What are the key properties of 3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide?
3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide has a molecular weight of 157.19 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-1H-thieno[3,4-c]pyrrole 2,2-dioxide is sourced from PubChem (CID 15686556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).