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

C13H20N2O2S — CID 111543644

IUPAC2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccs1)N1CCC(CO)C1
InChIInChI=1S/C13H20N2O2S/c1-10(15-5-4-11(8-15)9-16)13(17)14-7-12-3-2-6-18-12/h2-3,6,10-11,16H,4-5,7-9H2,1H3,(H,14,17)
InChIKeyURGFNKQLJPHZGV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.07
Rot. Bonds5

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

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 111543644) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID111543644
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccs1)N1CCC(CO)C1
InChIInChI=1S/C13H20N2O2S/c1-10(15-5-4-11(8-15)9-16)13(17)14-7-12-3-2-6-18-12/h2-3,6,10-11,16H,4-5,7-9H2,1H3,(H,14,17)
InChIKeyURGFNKQLJPHZGV-UHFFFAOYSA-N
XLogP1.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 9444129
(2S)-2-(4-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27070191
N-[(4-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543820
[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
CID 64867112
ethyl (3S)-1-[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl]piperidine-3-carboxylate
CID 98490889
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
(2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27104700
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 17447413
(2S)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 95606770
N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543768
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682
N-[(2-fluorophenyl)methyl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899328

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 111543644) is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide is CC(C(=O)NCc1cccs1)N1CCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is URGFNKQLJPHZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(15-5-4-11(8-15)9-16)13(17)14-7-12-3-2-6-18-12/h2-3,6,10-11,16H,4-5,7-9H2,1H3,(H,14,17).
What are the key properties of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide?
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 268.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 111543644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).