N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C16H24N2OS — CID 102893333

IUPACN-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)C1NCC2CCCC21
InChIInChI=1S/C16H24N2OS/c1-11(9-13-6-4-8-20-13)18(2)16(19)15-14-7-3-5-12(14)10-17-15/h4,6,8,11-12,14-15,17H,3,5,7,9-10H2,1-2H3
InChIKeyAVFRLJZSDNEYLW-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.53
Rot. Bonds4

About N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102893333) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102893333
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)C1NCC2CCCC21
InChIInChI=1S/C16H24N2OS/c1-11(9-13-6-4-8-20-13)18(2)16(19)15-14-7-3-5-12(14)10-17-15/h4,6,8,11-12,14-15,17H,3,5,7,9-10H2,1-2H3
InChIKeyAVFRLJZSDNEYLW-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide with MolForge

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Related Compounds

N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 79490850
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 79494572
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 79494889
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891672
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891898
N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890568
N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891896
N-ethyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890558
N-(4-methoxyphenyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892885
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
3-cyclopentyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 116509360
N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494564

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102893333) is N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CC(Cc1cccs1)N(C)C(=O)C1NCC2CCCC21.
What is the InChIKey of N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is AVFRLJZSDNEYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11(9-13-6-4-8-20-13)18(2)16(19)15-14-7-3-5-12(14)10-17-15/h4,6,8,11-12,14-15,17H,3,5,7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102893333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).