2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one

C14H22N2OS — CID 54871574

IUPAC2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C14H22N2OS/c1-3-7-14(2,15)13(17)16-8-4-5-12(16)11-6-9-18-10-11/h6,9-10,12H,3-5,7-8,15H2,1-2H3
InChIKeyOHJRHVQSKAPVMW-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.93
Rot. Bonds4

About 2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one

2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one (PubChem CID 54871574) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
PubChem CID54871574
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCC1c1ccsc1
InChIInChI=1S/C14H22N2OS/c1-3-7-14(2,15)13(17)16-8-4-5-12(16)11-6-9-18-10-11/h6,9-10,12H,3-5,7-8,15H2,1-2H3
InChIKeyOHJRHVQSKAPVMW-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
2-amino-1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 60946946
2-amino-2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 54872842
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
2-methyl-4-oxo-2-propan-2-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butanoic acid
CID 60948810
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
3-(aminomethyl)-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one
CID 81086710
2-(aminomethyl)-3-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)butan-1-one
CID 65227787
(1-propylsulfonylpiperidin-3-yl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55714417
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562
7-amino-1-(2-thiophen-3-ylpyrrolidin-1-yl)heptan-1-one
CID 54871536

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one (CID 54871574) is 2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one is CCCC(C)(N)C(=O)N1CCCC1c1ccsc1.
What is the InChIKey of 2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is OHJRHVQSKAPVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-7-14(2,15)13(17)16-8-4-5-12(16)11-6-9-18-10-11/h6,9-10,12H,3-5,7-8,15H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one?
2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 54871574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).