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

C10H14N4OS — CID 66209570

IUPAC(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESCC1C2CNCC2CN1C(=O)c1cnsn1
InChIInChI=1S/C10H14N4OS/c1-6-8-3-11-2-7(8)5-14(6)10(15)9-4-12-16-13-9/h4,6-8,11H,2-3,5H2,1H3
InChIKeyHIIVHSMBJUKDJP-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.22
Rot. Bonds1

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

(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 66209570) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID66209570
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESCC1C2CNCC2CN1C(=O)c1cnsn1
InChIInChI=1S/C10H14N4OS/c1-6-8-3-11-2-7(8)5-14(6)10(15)9-4-12-16-13-9/h4,6-8,11H,2-3,5H2,1H3
InChIKeyHIIVHSMBJUKDJP-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone (CID 66209570) is (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone is CC1C2CNCC2CN1C(=O)c1cnsn1.
What is the InChIKey of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is HIIVHSMBJUKDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-6-8-3-11-2-7(8)5-14(6)10(15)9-4-12-16-13-9/h4,6-8,11H,2-3,5H2,1H3.
What are the key properties of (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone?
(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 238.32 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 66209570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).