2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

C14H20N2OS — CID 79853993

IUPAC2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
SMILESNC1(CC(=O)N2CCCC2c2cccs2)CCC1
InChIInChI=1S/C14H20N2OS/c15-14(6-3-7-14)10-13(17)16-8-1-4-11(16)12-5-2-9-18-12/h2,5,9,11H,1,3-4,6-8,10,15H2
InChIKeyVMANFFBWMVEGMC-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.68
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 79853993) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
PubChem CID79853993
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
SMILESNC1(CC(=O)N2CCCC2c2cccs2)CCC1
InChIInChI=1S/C14H20N2OS/c15-14(6-3-7-14)10-13(17)16-8-1-4-11(16)12-5-2-9-18-12/h2,5,9,11H,1,3-4,6-8,10,15H2
InChIKeyVMANFFBWMVEGMC-UHFFFAOYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-(2-thienylmethyl)propanamide
CID 845104
1-cyclopentyl-5-oxo-N-(thien-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3245544
3-Pyrrolidinecarboxamide, 2,2,5,5-tetramethyl-N-(3-((2-thienylmethyl)amino)propyl)-, dihydrochloride
CID 24845410
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclopentanecarboxamide
CID 24234478
2,2,5,5-tetramethyl-N-[3-(thiophen-2-ylmethylamino)propyl]pyrrolidine-3-carboxamide
CID 24845411
1-[2-(Dimethylamino)ethyl]-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493714
9-[(5-Methylthiophen-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 118742267
1-[(3-Methylthiophen-2-YL)methyl]-tetradecahydrocyclopenta[B]1,5-diazacycloundecan-9-one
CID 110199302
5-[(3-Methylthiophen-2-YL)methyl]-4-phenyl-1,5-diazacycloundecan-2-one
CID 110202208
N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-thiophen-2-ylacetamide
CID 56826622
(1S,11R)-2-[(5-methylthiophen-2-yl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199297
(9aR,12aS)-8-methyl-1-[(3-methyl-2-thienyl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
CID 110199405

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone (CID 79853993) is 2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone is NC1(CC(=O)N2CCCC2c2cccs2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is VMANFFBWMVEGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c15-14(6-3-7-14)10-13(17)16-8-1-4-11(16)12-5-2-9-18-12/h2,5,9,11H,1,3-4,6-8,10,15H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone?
2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 264.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 79853993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).