3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine

C21H30N2OS — CID 135323038

IUPAC3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine
SMILESCCOCC1(CCc2cccs2)CCN(Cc2c(C)ccnc2C)C1
InChIInChI=1S/C21H30N2OS/c1-4-24-16-21(9-7-19-6-5-13-25-19)10-12-23(15-21)14-20-17(2)8-11-22-18(20)3/h5-6,8,11,13H,4,7,9-10,12,14-16H2,1-3H3
InChIKeyMBEZMQYZDQLWDV-UHFFFAOYSA-N
MW358.55 g/mol
LogP4.62
Rot. Bonds8

About 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine

3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine (PubChem CID 135323038) has the molecular formula C21H30N2OS and a molecular weight of 358.55 g/mol. Its IUPAC name is 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine.

Molecular Properties

Compound Name3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine
PubChem CID135323038
Molecular FormulaC21H30N2OS
Molecular Weight358.55 g/mol
Exact Mass358.21
IUPAC Name3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine
SMILESCCOCC1(CCc2cccs2)CCN(Cc2c(C)ccnc2C)C1
InChIInChI=1S/C21H30N2OS/c1-4-24-16-21(9-7-19-6-5-13-25-19)10-12-23(15-21)14-20-17(2)8-11-22-18(20)3/h5-6,8,11,13H,4,7,9-10,12,14-16H2,1-3H3
InChIKeyMBEZMQYZDQLWDV-UHFFFAOYSA-N
XLogP4.62
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322514
4-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 135322910
3-[[(3R)-3-(ethoxymethyl)-3-(thiophen-2-yloxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyridine
CID 167358488
5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135330031
4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine
CID 135323092
1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine
CID 135323114
3-[[(3S)-3-(ethoxymethyl)-3-[2-(4-methylphenyl)ethyl]pyrrolidin-1-yl]methyl]pyridine
CID 166506565
4-[[(3R)-3-(ethoxymethyl)-3-[2-(5-methylthiophen-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 135323006
3-[[3-[2-(4-chlorophenyl)ethyl]-3-(ethoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322793
5-[2-[(3R)-3-(difluoromethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 175820731
2-[4-[[4-(ethoxymethyl)-4-(2-phenylethyl)piperidin-1-yl]methyl]phenyl]-1,3,4-thiadiazole
CID 135322739
3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine
CID 162430350

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine?
The IUPAC name of 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine (CID 135323038) is 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine.
What is the SMILES notation for 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine?
The canonical SMILES for 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine is CCOCC1(CCc2cccs2)CCN(Cc2c(C)ccnc2C)C1.
What is the InChIKey of 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine?
The InChIKey is MBEZMQYZDQLWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2OS/c1-4-24-16-21(9-7-19-6-5-13-25-19)10-12-23(15-21)14-20-17(2)8-11-22-18(20)3/h5-6,8,11,13H,4,7,9-10,12,14-16H2,1-3H3.
What are the key properties of 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine?
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine has a molecular weight of 358.55 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine is sourced from PubChem (CID 135323038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).