(3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

C15H14N2O2S2 — CID 124792301

IUPAC(3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESO=C(c1ccsc1)N1C[C@@H]2CN(c3ccsc3)C(=O)[C@@H]2C1
InChIInChI=1S/C15H14N2O2S2/c18-14(10-1-3-20-8-10)16-5-11-6-17(12-2-4-21-9-12)15(19)13(11)7-16/h1-4,8-9,11,13H,5-7H2/t11-,13-/m1/s1
InChIKeyHUOKPCZNEGFMPV-DGCLKSJQSA-N
MW318.42 g/mol
LogP2.54
Rot. Bonds2

About (3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

(3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 124792301) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

Compound Name(3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
PubChem CID124792301
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name(3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
SMILESO=C(c1ccsc1)N1C[C@@H]2CN(c3ccsc3)C(=O)[C@@H]2C1
InChIInChI=1S/C15H14N2O2S2/c18-14(10-1-3-20-8-10)16-5-11-6-17(12-2-4-21-9-12)15(19)13(11)7-16/h1-4,8-9,11,13H,5-7H2/t11-,13-/m1/s1
InChIKeyHUOKPCZNEGFMPV-DGCLKSJQSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The IUPAC name of (3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 124792301) is (3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.
What is the SMILES notation for (3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The canonical SMILES for (3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is O=C(c1ccsc1)N1C[C@@H]2CN(c3ccsc3)C(=O)[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
The InChIKey is HUOKPCZNEGFMPV-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c18-14(10-1-3-20-8-10)16-5-11-6-17(12-2-4-21-9-12)15(19)13(11)7-16/h1-4,8-9,11,13H,5-7H2/t11-,13-/m1/s1.
What are the key properties of (3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?
(3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 318.42 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-(thiophene-3-carbonyl)-5-thiophen-3-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 124792301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).