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

C15H22N2O2S — CID 15730154

IUPAC1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCOCC1CN1CCCC1
InChIInChI=1S/C15H22N2O2S/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
InChIKeyJRZSSGOBQFHWOO-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.61
Rot. Bonds4

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

1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone (PubChem CID 15730154) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone
PubChem CID15730154
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCOCC1CN1CCCC1
InChIInChI=1S/C15H22N2O2S/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
InChIKeyJRZSSGOBQFHWOO-UHFFFAOYSA-N
XLogP1.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone (CID 15730154) is 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCOCC1CN1CCCC1.
What is the InChIKey of 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
The InChIKey is JRZSSGOBQFHWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/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.
What are the key properties of 1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone?
1-[3-(pyrrolidin-1-ylmethyl)morpholin-4-yl]-2-thiophen-2-ylethanone has a molecular weight of 294.42 g/mol, XLogP of 1.61, 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 is sourced from PubChem (CID 15730154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).