N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide

C13H20N2OS — CID 79493806

IUPACN-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCN(CCc1cccs1)C(=O)CC1CCNC1
InChIInChI=1S/C13H20N2OS/c1-15(7-5-12-3-2-8-17-12)13(16)9-11-4-6-14-10-11/h2-3,8,11,14H,4-7,9-10H2,1H3
InChIKeyPHQZSTGKDHETPW-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.75
Rot. Bonds5

About N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide

N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 79493806) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID79493806
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCN(CCc1cccs1)C(=O)CC1CCNC1
InChIInChI=1S/C13H20N2OS/c1-15(7-5-12-3-2-8-17-12)13(16)9-11-4-6-14-10-11/h2-3,8,11,14H,4-7,9-10H2,1H3
InChIKeyPHQZSTGKDHETPW-UHFFFAOYSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119807077
N-cyclopropyl-2-piperidin-4-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715455
N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62210978
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 107032192
N-methyl-2-piperidin-4-yloxy-N-(thiophen-2-ylmethyl)acetamide
CID 63876359
N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
CID 119442471
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609917
N-(2-cyclopentylethyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160413
N-methyl-N-piperidin-3-yl-4-thiophen-2-ylbutanamide
CID 63642993

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide (CID 79493806) is N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide is CN(CCc1cccs1)C(=O)CC1CCNC1.
What is the InChIKey of N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is PHQZSTGKDHETPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-15(7-5-12-3-2-8-17-12)13(16)9-11-4-6-14-10-11/h2-3,8,11,14H,4-7,9-10H2,1H3.
What are the key properties of N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide?
N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 252.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 79493806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).