1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride

C15H23ClN2O2S — CID 18915185

IUPAC1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride
SMILESCl.O=C(Cc1cccs1)N1CCOCC1CN1CCCC1
InChIInChI=1S/C15H22N2O2S.ClH/c18-15(10-14-4-3-9-20-14)17-7-8-19-12-13(17)11-16-5-1-2-6-16;/h3-4,9,13H,1-2,5-8,10-12H2;1H
InChIKeyWPVAVLOGMJKXNU-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.04
Rot. Bonds4

About 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride

1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride (PubChem CID 18915185) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride
PubChem CID18915185
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride
SMILESCl.O=C(Cc1cccs1)N1CCOCC1CN1CCCC1
InChIInChI=1S/C15H22N2O2S.ClH/c18-15(10-14-4-3-9-20-14)17-7-8-19-12-13(17)11-16-5-1-2-6-16;/h3-4,9,13H,1-2,5-8,10-12H2;1H
InChIKeyWPVAVLOGMJKXNU-UHFFFAOYSA-N
XLogP2.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride 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 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride?
The IUPAC name of 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride (CID 18915185) is 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride?
The canonical SMILES for 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride is Cl.O=C(Cc1cccs1)N1CCOCC1CN1CCCC1.
What is the InChIKey of 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride?
The InChIKey is WPVAVLOGMJKXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c18-15(10-14-4-3-9-20-14)17-7-8-19-12-13(17)11-16-5-1-2-6-16;/h3-4,9,13H,1-2,5-8,10-12H2;1H.
What are the key properties of 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride?
1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone;hydrochloride is sourced from PubChem (CID 18915185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).