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

C13H20N2O2S — CID 62016691

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCCC1CO
InChIInChI=1S/C13H20N2O2S/c1-14(7-11-4-6-18-10-11)13(17)8-15-5-2-3-12(15)9-16/h4,6,10,12,16H,2-3,5,7-9H2,1H3
InChIKeyGYQIWJMFRCGLTN-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.16
Rot. Bonds5

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

2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 62016691) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID62016691
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCCC1CO
InChIInChI=1S/C13H20N2O2S/c1-14(7-11-4-6-18-10-11)13(17)8-15-5-2-3-12(15)9-16/h4,6,10,12,16H,2-3,5,7-9H2,1H3
InChIKeyGYQIWJMFRCGLTN-UHFFFAOYSA-N
XLogP1.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 62016691) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)CN1CCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is GYQIWJMFRCGLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-14(7-11-4-6-18-10-11)13(17)8-15-5-2-3-12(15)9-16/h4,6,10,12,16H,2-3,5,7-9H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 268.38 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 62016691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).