2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C13H21N3OS — CID 81493901

IUPAC2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCNC1CCN(CC(=O)NCCc2cccs2)C1
InChIInChI=1S/C13H21N3OS/c1-14-11-5-7-16(9-11)10-13(17)15-6-4-12-3-2-8-18-12/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,15,17)
InChIKeyMDYSKZZVYIGCPS-UHFFFAOYSA-N
MW267.40 g/mol
LogP0.70
Rot. Bonds6

About 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 81493901) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID81493901
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCNC1CCN(CC(=O)NCCc2cccs2)C1
InChIInChI=1S/C13H21N3OS/c1-14-11-5-7-16(9-11)10-13(17)15-6-4-12-3-2-8-18-12/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,15,17)
InChIKeyMDYSKZZVYIGCPS-UHFFFAOYSA-N
XLogP0.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940
methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate
CID 78925845
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 115305099
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 86773374
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 81493988
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9028686
N-(2-thiophen-2-ylethyl)-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95341631

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 81493901) is 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is CNC1CCN(CC(=O)NCCc2cccs2)C1.
What is the InChIKey of 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is MDYSKZZVYIGCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-14-11-5-7-16(9-11)10-13(17)15-6-4-12-3-2-8-18-12/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,15,17).
What are the key properties of 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 267.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 81493901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).