5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine

C22H30N2OS — CID 135330031

IUPAC5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
SMILESCCOC[C@@]1(CCc2cccs2)CCN(C2(c3ccc(C)nc3)CC2)C1
InChIInChI=1S/C22H30N2OS/c1-3-25-17-21(9-8-20-5-4-14-26-20)12-13-24(16-21)22(10-11-22)19-7-6-18(2)23-15-19/h4-7,14-15H,3,8-13,16-17H2,1-2H3/t21-/m0/s1
InChIKeyCTSXHEZAQDXERR-NRFANRHFSA-N
MW370.56 g/mol
LogP4.80
Rot. Bonds8

About 5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine

5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine (PubChem CID 135330031) has the molecular formula C22H30N2OS and a molecular weight of 370.56 g/mol. Its IUPAC name is 5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
PubChem CID135330031
Molecular FormulaC22H30N2OS
Molecular Weight370.56 g/mol
Exact Mass370.21
IUPAC Name5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
SMILESCCOC[C@@]1(CCc2cccs2)CCN(C2(c3ccc(C)nc3)CC2)C1
InChIInChI=1S/C22H30N2OS/c1-3-25-17-21(9-8-20-5-4-14-26-20)12-13-24(16-21)22(10-11-22)19-7-6-18(2)23-15-19/h4-7,14-15H,3,8-13,16-17H2,1-2H3/t21-/m0/s1
InChIKeyCTSXHEZAQDXERR-NRFANRHFSA-N
XLogP4.80
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135322778
5-[1-[3-[(1S)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135322805
5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 166506678
5-[1-[(3S)-3-[(1S)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 166506578
5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135323289
3-[2-[(3S)-3-(ethoxymethyl)-1-[1-(6-methyl-3-pyridinyl)cyclopropyl]pyrrolidin-3-yl]ethyl]-1H-imidazol-2-one
CID 140909083
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]pyridine
CID 135322514
3-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-2,4-dimethylpyridine
CID 135323038
4-[[3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 135322910
4-(ethoxymethyl)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(2-thiophen-2-ylethyl)piperidine
CID 135323092
5-[2-[(3R)-3-(difluoromethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 175820731
1-[(1-benzylpyrazol-4-yl)methyl]-4-(ethoxymethyl)-4-(2-thiophen-2-ylethyl)piperidine
CID 135323114

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The IUPAC name of 5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine (CID 135330031) is 5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine.
What is the SMILES notation for 5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The canonical SMILES for 5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine is CCOC[C@@]1(CCc2cccs2)CCN(C2(c3ccc(C)nc3)CC2)C1.
What is the InChIKey of 5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The InChIKey is CTSXHEZAQDXERR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N2OS/c1-3-25-17-21(9-8-20-5-4-14-26-20)12-13-24(16-21)22(10-11-22)19-7-6-18(2)23-15-19/h4-7,14-15H,3,8-13,16-17H2,1-2H3/t21-/m0/s1.
What are the key properties of 5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine has a molecular weight of 370.56 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine is sourced from PubChem (CID 135330031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).