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

C9H17NO2S — CID 166684866

IUPAC5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide
SMILESCC(C)N1CC2CCS(=O)(=O)C2C1
InChIInChI=1S/C9H17NO2S/c1-7(2)10-5-8-3-4-13(11,12)9(8)6-10/h7-9H,3-6H2,1-2H3
InChIKeyJUPAXEPWGDLIAA-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.51
Rot. Bonds1

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

5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide (PubChem CID 166684866) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide.

Molecular Properties

Compound Name5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide
PubChem CID166684866
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide
SMILESCC(C)N1CC2CCS(=O)(=O)C2C1
InChIInChI=1S/C9H17NO2S/c1-7(2)10-5-8-3-4-13(11,12)9(8)6-10/h7-9H,3-6H2,1-2H3
InChIKeyJUPAXEPWGDLIAA-UHFFFAOYSA-N
XLogP0.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide?
The IUPAC name of 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide (CID 166684866) is 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide.
What is the SMILES notation for 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide?
The canonical SMILES for 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide is CC(C)N1CC2CCS(=O)(=O)C2C1.
What is the InChIKey of 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide?
The InChIKey is JUPAXEPWGDLIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-7(2)10-5-8-3-4-13(11,12)9(8)6-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide?
5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide has a molecular weight of 203.31 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrole 1,1-dioxide is sourced from PubChem (CID 166684866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).