2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

C14H22N2O2S — CID 102788116

IUPAC2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCC1CCN(CC(=O)N(C)Cc2ccsc2)C1CO
InChIInChI=1S/C14H22N2O2S/c1-11-3-5-16(13(11)9-17)8-14(18)15(2)7-12-4-6-19-10-12/h4,6,10-11,13,17H,3,5,7-9H2,1-2H3
InChIKeyQAZBERVYUUUFQW-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.41
Rot. Bonds5

About 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide

2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 102788116) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID102788116
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCC1CCN(CC(=O)N(C)Cc2ccsc2)C1CO
InChIInChI=1S/C14H22N2O2S/c1-11-3-5-16(13(11)9-17)8-14(18)15(2)7-12-4-6-19-10-12/h4,6,10-11,13,17H,3,5,7-9H2,1-2H3
InChIKeyQAZBERVYUUUFQW-UHFFFAOYSA-N
XLogP1.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 102788116) is 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CC1CCN(CC(=O)N(C)Cc2ccsc2)C1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is QAZBERVYUUUFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-3-5-16(13(11)9-17)8-14(18)15(2)7-12-4-6-19-10-12/h4,6,10-11,13,17H,3,5,7-9H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 102788116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).