2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

C15H22N2O2S — CID 78942109

IUPAC2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CN1CCC[C@H]1CO
InChIInChI=1S/C15H22N2O2S/c1-2-7-17(10-14-6-4-9-20-14)15(19)11-16-8-3-5-13(16)12-18/h2,4,6,9,13,18H,1,3,5,7-8,10-12H2/t13-/m0/s1
InChIKeyCRDGAFSESVKSBU-ZDUSSCGKSA-N
MW294.42 g/mol
LogP1.72
Rot. Bonds7

About 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 78942109) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID78942109
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SMILESC=CCN(Cc1cccs1)C(=O)CN1CCC[C@H]1CO
InChIInChI=1S/C15H22N2O2S/c1-2-7-17(10-14-6-4-9-20-14)15(19)11-16-8-3-5-13(16)12-18/h2,4,6,9,13,18H,1,3,5,7-8,10-12H2/t13-/m0/s1
InChIKeyCRDGAFSESVKSBU-ZDUSSCGKSA-N
XLogP1.72
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 60685130
2-(2-methylpiperazin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 62674229
2-[(3R)-3-methylpiperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 104975631
2-[(3S)-3-methylpiperazin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 104977075
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 78942399
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62467825
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 115873504
2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 62039896
N-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271491
2-(1-hydroxypropan-2-ylsulfanyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 113244573
2-(1-methylidene-3-oxoisoindol-2-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 86915725

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide (CID 78942109) is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is C=CCN(Cc1cccs1)C(=O)CN1CCC[C@H]1CO.
What is the InChIKey of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CRDGAFSESVKSBU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-7-17(10-14-6-4-9-20-14)15(19)11-16-8-3-5-13(16)12-18/h2,4,6,9,13,18H,1,3,5,7-8,10-12H2/t13-/m0/s1.
What are the key properties of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide?
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 294.42 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 78942109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).