4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine

C21H32N2OS — CID 24771221

IUPAC4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine
SMILESCCN1CCCC1COc1cccc2c1CCCC2N1CCSCC1
InChIInChI=1S/C21H32N2OS/c1-2-22-11-5-6-17(22)16-24-21-10-4-7-18-19(21)8-3-9-20(18)23-12-14-25-15-13-23/h4,7,10,17,20H,2-3,5-6,8-9,11-16H2,1H3
InChIKeyHCQTYHQXAYZGKA-UHFFFAOYSA-N
MW360.57 g/mol
LogP3.98
Rot. Bonds5

About 4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine

4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine (PubChem CID 24771221) has the molecular formula C21H32N2OS and a molecular weight of 360.57 g/mol. Its IUPAC name is 4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine.

Molecular Properties

Compound Name4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine
PubChem CID24771221
Molecular FormulaC21H32N2OS
Molecular Weight360.57 g/mol
Exact Mass360.22
IUPAC Name4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine
SMILESCCN1CCCC1COc1cccc2c1CCCC2N1CCSCC1
InChIInChI=1S/C21H32N2OS/c1-2-22-11-5-6-17(22)16-24-21-10-4-7-18-19(21)8-3-9-20(18)23-12-14-25-15-13-23/h4,7,10,17,20H,2-3,5-6,8-9,11-16H2,1H3
InChIKeyHCQTYHQXAYZGKA-UHFFFAOYSA-N
XLogP3.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine?
The IUPAC name of 4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine (CID 24771221) is 4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine.
What is the SMILES notation for 4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine?
The canonical SMILES for 4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine is CCN1CCCC1COc1cccc2c1CCCC2N1CCSCC1.
What is the InChIKey of 4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine?
The InChIKey is HCQTYHQXAYZGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2OS/c1-2-22-11-5-6-17(22)16-24-21-10-4-7-18-19(21)8-3-9-20(18)23-12-14-25-15-13-23/h4,7,10,17,20H,2-3,5-6,8-9,11-16H2,1H3.
What are the key properties of 4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine?
4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine has a molecular weight of 360.57 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1-ethylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]thiomorpholine is sourced from PubChem (CID 24771221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).