(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

C10H14N4OS — CID 43595400

IUPAC(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESCC1CC2CNCC2N1C(=O)c1cnsn1
InChIInChI=1S/C10H14N4OS/c1-6-2-7-3-11-5-9(7)14(6)10(15)8-4-12-16-13-8/h4,6-7,9,11H,2-3,5H2,1H3
InChIKeyAYFYQGKRAKKOLV-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.36
Rot. Bonds1

About (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone

(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 43595400) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID43595400
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESCC1CC2CNCC2N1C(=O)c1cnsn1
InChIInChI=1S/C10H14N4OS/c1-6-2-7-3-11-5-9(7)14(6)10(15)8-4-12-16-13-8/h4,6-7,9,11H,2-3,5H2,1H3
InChIKeyAYFYQGKRAKKOLV-UHFFFAOYSA-N
XLogP0.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone (CID 43595400) is (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is CC1CC2CNCC2N1C(=O)c1cnsn1.
What is the InChIKey of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is AYFYQGKRAKKOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6-2-7-3-11-5-9(7)14(6)10(15)8-4-12-16-13-8/h4,6-7,9,11H,2-3,5H2,1H3.
What are the key properties of (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone?
(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 238.32 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 43595400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).