3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide

C10H18N2O4S2 — CID 43597546

IUPAC3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(S(=O)(=O)N2CC[C@H]3CNC[C@H]32)C1
InChIInChI=1S/C10H18N2O4S2/c13-17(14)4-2-9(7-17)18(15,16)12-3-1-8-5-11-6-10(8)12/h8-11H,1-7H2/t8-,9?,10+/m0/s1
InChIKeyCKJHEGRDVNOTMJ-DJBFQZMMSA-N
MW294.40 g/mol
LogP-1.20
Rot. Bonds2

About 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide

3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide (PubChem CID 43597546) has the molecular formula C10H18N2O4S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide
PubChem CID43597546
Molecular FormulaC10H18N2O4S2
Molecular Weight294.40 g/mol
Exact Mass294.07
IUPAC Name3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(S(=O)(=O)N2CC[C@H]3CNC[C@H]32)C1
InChIInChI=1S/C10H18N2O4S2/c13-17(14)4-2-9(7-17)18(15,16)12-3-1-8-5-11-6-10(8)12/h8-11H,1-7H2/t8-,9?,10+/m0/s1
InChIKeyCKJHEGRDVNOTMJ-DJBFQZMMSA-N
XLogP-1.20
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide (CID 43597546) is 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide is O=S1(=O)CCC(S(=O)(=O)N2CC[C@H]3CNC[C@H]32)C1.
What is the InChIKey of 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide?
The InChIKey is CKJHEGRDVNOTMJ-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H18N2O4S2/c13-17(14)4-2-9(7-17)18(15,16)12-3-1-8-5-11-6-10(8)12/h8-11H,1-7H2/t8-,9?,10+/m0/s1.
What are the key properties of 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide?
3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide has a molecular weight of 294.40 g/mol, XLogP of -1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl]sulfonyl]thiolane 1,1-dioxide is sourced from PubChem (CID 43597546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).