2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C15H25N3OS — CID 104979626

IUPAC2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(C)C1CCCNCC1
InChIInChI=1S/C15H25N3OS/c1-17(14-4-3-7-16-8-5-14)11-15(19)18(2)10-13-6-9-20-12-13/h6,9,12,14,16H,3-5,7-8,10-11H2,1-2H3
InChIKeyPCHUPFAJHCMAES-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.78
Rot. Bonds5

About 2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 104979626) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID104979626
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN(C)C1CCCNCC1
InChIInChI=1S/C15H25N3OS/c1-17(14-4-3-7-16-8-5-14)11-15(19)18(2)10-13-6-9-20-12-13/h6,9,12,14,16H,3-5,7-8,10-11H2,1-2H3
InChIKeyPCHUPFAJHCMAES-UHFFFAOYSA-N
XLogP1.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)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-[azetidin-3-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66186907
2-[(4-aminocyclohexyl)-methylamino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 79121413
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897
N-methyl-N-piperidin-4-yl-2-thiophen-3-ylacetamide;hydrochloride
CID 71641436
N-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-N-(thiophen-3-ylmethyl)acetamide
CID 106614772
N-methyl-N-piperidin-3-yl-2-thiophen-3-ylacetamide;hydrochloride
CID 71641261
N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
CID 166314343
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 71641161
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 104979626) is 2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN(C)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is PCHUPFAJHCMAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-17(14-4-3-7-16-8-5-14)11-15(19)18(2)10-13-6-9-20-12-13/h6,9,12,14,16H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 295.45 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 104979626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).