N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide

C15H23N3OS — CID 66207675

IUPACN-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1C2CNCC2CN1CC(=O)N(C)Cc1cccs1
InChIInChI=1S/C15H23N3OS/c1-11-14-7-16-6-12(14)8-18(11)10-15(19)17(2)9-13-4-3-5-20-13/h3-5,11-12,14,16H,6-10H2,1-2H3
InChIKeyOFPIPEZVMPNWGS-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.25
Rot. Bonds4

About N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 66207675) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID66207675
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1C2CNCC2CN1CC(=O)N(C)Cc1cccs1
InChIInChI=1S/C15H23N3OS/c1-11-14-7-16-6-12(14)8-18(11)10-15(19)17(2)9-13-4-3-5-20-13/h3-5,11-12,14,16H,6-10H2,1-2H3
InChIKeyOFPIPEZVMPNWGS-UHFFFAOYSA-N
XLogP1.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 120663923
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 114681156
2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684363
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62372272
N-benzyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)acetamide
CID 66207477
N-methyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40881449
methyl 1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 60642529
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62467825
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
(3aS,4R,7aS)-N-methyl-N-(thiophen-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-amine
CID 124812846
N-methyl-N-(thiophen-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-amine
CID 121229731
2-(4-benzhydrylpiperazin-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 17496462

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 66207675) is N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide is CC1C2CNCC2CN1CC(=O)N(C)Cc1cccs1.
What is the InChIKey of N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is OFPIPEZVMPNWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11-14-7-16-6-12(14)8-18(11)10-15(19)17(2)9-13-4-3-5-20-13/h3-5,11-12,14,16H,6-10H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 293.44 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 66207675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).