2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

C14H22N2O3S — CID 106672150

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)CN1CC(O)C(O)C1)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-9(2)14(12-4-3-5-20-12)15-13(19)8-16-6-10(17)11(18)7-16/h3-5,9-11,14,17-18H,6-8H2,1-2H3,(H,15,19)
InChIKeyYNOFNBZSJMQTIO-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.60
Rot. Bonds5

About 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (PubChem CID 106672150) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
PubChem CID106672150
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCC(C)C(NC(=O)CN1CC(O)C(O)C1)c1cccs1
InChIInChI=1S/C14H22N2O3S/c1-9(2)14(12-4-3-5-20-12)15-13(19)8-16-6-10(17)11(18)7-16/h3-5,9-11,14,17-18H,6-8H2,1-2H3,(H,15,19)
InChIKeyYNOFNBZSJMQTIO-UHFFFAOYSA-N
XLogP0.60
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 36799965
2-(4-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62656121
2-(3-formylpiperidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62656575
2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051678
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 31735919
2-[1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116684068
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 63681207
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 24566759
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
3-(cyclopropylamino)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 60866044
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 7447508

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (CID 106672150) is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is CC(C)C(NC(=O)CN1CC(O)C(O)C1)c1cccs1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The InChIKey is YNOFNBZSJMQTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9(2)14(12-4-3-5-20-12)15-13(19)8-16-6-10(17)11(18)7-16/h3-5,9-11,14,17-18H,6-8H2,1-2H3,(H,15,19).
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 106672150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).