3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol

C21H26N2O2S — CID 156607209

IUPAC3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
SMILESCOc1ccc(C2CN(Cc3ccc(C#CCO)s3)CC2N(C)C)cc1
InChIInChI=1S/C21H26N2O2S/c1-22(2)21-15-23(13-19-11-10-18(26-19)5-4-12-24)14-20(21)16-6-8-17(25-3)9-7-16/h6-11,20-21,24H,12-15H2,1-3H3
InChIKeyYOSOLZFVRVWBHB-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.63
Rot. Bonds5

About 3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol

3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol (PubChem CID 156607209) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
PubChem CID156607209
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
SMILESCOc1ccc(C2CN(Cc3ccc(C#CCO)s3)CC2N(C)C)cc1
InChIInChI=1S/C21H26N2O2S/c1-22(2)21-15-23(13-19-11-10-18(26-19)5-4-12-24)14-20(21)16-6-8-17(25-3)9-7-16/h6-11,20-21,24H,12-15H2,1-3H3
InChIKeyYOSOLZFVRVWBHB-UHFFFAOYSA-N
XLogP2.63
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol 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

3-[5-[[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 46996370
3-[5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 82691520
(3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 70706284
(3S,4R)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 70731889
3-[5-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 114779546
3-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)thiophen-2-yl]prop-2-yn-1-ol
CID 79934808
2-[(3S,4R)-3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 72893791
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 156606912
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 156604067
(3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
CID 72912750
1-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 156606635
4-[(3R)-1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136728331

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol (CID 156607209) is 3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol is COc1ccc(C2CN(Cc3ccc(C#CCO)s3)CC2N(C)C)cc1.
What is the InChIKey of 3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol?
The InChIKey is YOSOLZFVRVWBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-22(2)21-15-23(13-19-11-10-18(26-19)5-4-12-24)14-20(21)16-6-8-17(25-3)9-7-16/h6-11,20-21,24H,12-15H2,1-3H3.
What are the key properties of 3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol?
3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol has a molecular weight of 370.52 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 156607209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).