2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide

C12H18N2OS — CID 64610778

IUPAC2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)CC1CNC1
InChIInChI=1S/C12H18N2OS/c1-9(11-4-3-5-16-11)14(2)12(15)6-10-7-13-8-10/h3-5,9-10,13H,6-8H2,1-2H3
InChIKeyYDMJDXOSXOUHCL-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.88
Rot. Bonds4

About 2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide

2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 64610778) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID64610778
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)CC1CNC1
InChIInChI=1S/C12H18N2OS/c1-9(11-4-3-5-16-11)14(2)12(15)6-10-7-13-8-10/h3-5,9-10,13H,6-8H2,1-2H3
InChIKeyYDMJDXOSXOUHCL-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-piperidin-3-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 62674552
2-(azetidin-3-yl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 64610155
N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 54873202
4-[methyl(1-thiophen-2-ylethyl)amino]pentan-2-one
CID 64696669
2-(azetidin-3-yl)-1-thiophen-2-ylethanone
CID 116582435
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
2-(2-aminophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 61109028
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 63715865
N-methyl-2-(4-sulfanylphenyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 107025959
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
N-methyl-6-oxo-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 112728802

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide (CID 64610778) is 2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide is CC(c1cccs1)N(C)C(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is YDMJDXOSXOUHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(11-4-3-5-16-11)14(2)12(15)6-10-7-13-8-10/h3-5,9-10,13H,6-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide?
2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 238.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 64610778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).