[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone

C10H14N4OS — CID 131686042

IUPAC[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone
SMILESCN1C[C@@H]2CCN(C(=O)c3csnn3)[C@@H]2C1
InChIInChI=1S/C10H14N4OS/c1-13-4-7-2-3-14(9(7)5-13)10(15)8-6-16-12-11-8/h6-7,9H,2-5H2,1H3/t7-,9+/m0/s1
InChIKeyJGXCGJCWDHKPEF-IONNQARKSA-N
MW238.32 g/mol
LogP0.31
Rot. Bonds1

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

[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone (PubChem CID 131686042) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is [(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone
PubChem CID131686042
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone
SMILESCN1C[C@@H]2CCN(C(=O)c3csnn3)[C@@H]2C1
InChIInChI=1S/C10H14N4OS/c1-13-4-7-2-3-14(9(7)5-13)10(15)8-6-16-12-11-8/h6-7,9H,2-5H2,1H3/t7-,9+/m0/s1
InChIKeyJGXCGJCWDHKPEF-IONNQARKSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(3aR,6aR)-1-methylsulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-(thiadiazol-4-yl)methanone
CID 131685811
[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 92632709
(2-pyrrolidin-2-ylpyrrolidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216007
(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-(thiadiazol-4-yl)methanone
CID 128539513
2-[1-(thiadiazole-4-carbonyl)piperidin-2-yl]cyclohexan-1-one
CID 79553480
[(3aS,7aS)-5-(pyrazine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(thiadiazol-4-yl)methanone
CID 131689115
[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(thiadiazol-4-yl)methanone
CID 131688216
[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone
CID 131683997
3-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carbonyl]-1-methylpyridin-2-one
CID 131688491
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121
1-(thiadiazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112567973

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone (CID 131686042) is [(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone is CN1C[C@@H]2CCN(C(=O)c3csnn3)[C@@H]2C1.
What is the InChIKey of [(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is JGXCGJCWDHKPEF-IONNQARKSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-13-4-7-2-3-14(9(7)5-13)10(15)8-6-16-12-11-8/h6-7,9H,2-5H2,1H3/t7-,9+/m0/s1.
What are the key properties of [(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone?
[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 238.32 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 131686042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).