1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone

C16H24N2O2S — CID 95981641

IUPAC1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN2C[C@@H](c3ccsc3)C[C@H]2C)CCO1
InChIInChI=1S/C16H24N2O2S/c1-12-7-15(14-3-6-21-11-14)9-18(12)10-16(19)17-4-5-20-13(2)8-17/h3,6,11-13,15H,4-5,7-10H2,1-2H3/t12-,13-,15+/m1/s1
InChIKeyTXPLWKQCDNULCM-NFAWXSAZSA-N
MW308.45 g/mol
LogP2.17
Rot. Bonds3

About 1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone

1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone (PubChem CID 95981641) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone
PubChem CID95981641
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)CN2C[C@@H](c3ccsc3)C[C@H]2C)CCO1
InChIInChI=1S/C16H24N2O2S/c1-12-7-15(14-3-6-21-11-14)9-18(12)10-16(19)17-4-5-20-13(2)8-17/h3,6,11-13,15H,4-5,7-10H2,1-2H3/t12-,13-,15+/m1/s1
InChIKeyTXPLWKQCDNULCM-NFAWXSAZSA-N
XLogP2.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-[(2S,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 95981640
2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 98689719
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 120563675
1-(2-methylmorpholin-4-yl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56801200
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
2-(1,3-dioxan-2-yl)-1-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 125140010
1-(2-methylmorpholin-4-yl)-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 51074753
[(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 120637241
2-ethyl-5-[[(2R,4S)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 124799322
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62015912

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone (CID 95981641) is 1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone is C[C@@H]1CN(C(=O)CN2C[C@@H](c3ccsc3)C[C@H]2C)CCO1.
What is the InChIKey of 1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone?
The InChIKey is TXPLWKQCDNULCM-NFAWXSAZSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-12-7-15(14-3-6-21-11-14)9-18(12)10-16(19)17-4-5-20-13(2)8-17/h3,6,11-13,15H,4-5,7-10H2,1-2H3/t12-,13-,15+/m1/s1.
What are the key properties of 1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone?
1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone has a molecular weight of 308.45 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylmorpholin-4-yl]-2-[(2R,4R)-2-methyl-4-thiophen-3-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95981641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).