5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide

C9H15NO2S — CID 166687588

IUPAC5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide
SMILESO=S1(=O)CCC2CN(C3CC3)CC21
InChIInChI=1S/C9H15NO2S/c11-13(12)4-3-7-5-10(6-9(7)13)8-1-2-8/h7-9H,1-6H2
InChIKeyMWKQEKBVMOJNHO-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.27
Rot. Bonds1

About 5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide

5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide (PubChem CID 166687588) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide.

Molecular Properties

Compound Name5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide
PubChem CID166687588
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide
SMILESO=S1(=O)CCC2CN(C3CC3)CC21
InChIInChI=1S/C9H15NO2S/c11-13(12)4-3-7-5-10(6-9(7)13)8-1-2-8/h7-9H,1-6H2
InChIKeyMWKQEKBVMOJNHO-UHFFFAOYSA-N
XLogP0.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide?
The IUPAC name of 5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide (CID 166687588) is 5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide.
What is the SMILES notation for 5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide?
The canonical SMILES for 5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide is O=S1(=O)CCC2CN(C3CC3)CC21.
What is the InChIKey of 5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide?
The InChIKey is MWKQEKBVMOJNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c11-13(12)4-3-7-5-10(6-9(7)13)8-1-2-8/h7-9H,1-6H2.
What are the key properties of 5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide?
5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide has a molecular weight of 201.29 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide is sourced from PubChem (CID 166687588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).