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

C12H16N2OS — CID 66213343

IUPAC2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CC2CNCC2C1
InChIInChI=1S/C12H16N2OS/c1-8-2-3-16-11(8)12(15)14-6-9-4-13-5-10(9)7-14/h2-3,9-10,13H,4-7H2,1H3
InChIKeyBPGOXDIJKLXLCM-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.35
Rot. Bonds1

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

2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone (PubChem CID 66213343) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone
PubChem CID66213343
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CC2CNCC2C1
InChIInChI=1S/C12H16N2OS/c1-8-2-3-16-11(8)12(15)14-6-9-4-13-5-10(9)7-14/h2-3,9-10,13H,4-7H2,1H3
InChIKeyBPGOXDIJKLXLCM-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(thiophen-2-yl)methanone
CID 66212768
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
(3R,4R)-1-(3-methylthiophene-2-carbonyl)-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 133135260
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
6-methylidene-2-(3-methylthiophene-2-carbonyl)-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazin-9-one
CID 157444493
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70731861
[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70744426
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-fluoro-2-methylphenyl)methanone
CID 66211217

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone?
The IUPAC name of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone (CID 66213343) is 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CC2CNCC2C1.
What is the InChIKey of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone?
The InChIKey is BPGOXDIJKLXLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-2-3-16-11(8)12(15)14-6-9-4-13-5-10(9)7-14/h2-3,9-10,13H,4-7H2,1H3.
What are the key properties of 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone?
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone has a molecular weight of 236.34 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 66213343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).