3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine

C17H24N2OS — CID 54767744

IUPAC3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(C)CCC(c1cc2ccccc2s1)N1CCOCC1
InChIInChI=1S/C17H24N2OS/c1-18(2)8-7-15(19-9-11-20-12-10-19)17-13-14-5-3-4-6-16(14)21-17/h3-6,13,15H,7-12H2,1-2H3
InChIKeyJQUXSYNGQWDWDG-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.23
Rot. Bonds5

About 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine

3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 54767744) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
PubChem CID54767744
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(C)CCC(c1cc2ccccc2s1)N1CCOCC1
InChIInChI=1S/C17H24N2OS/c1-18(2)8-7-15(19-9-11-20-12-10-19)17-13-14-5-3-4-6-16(14)21-17/h3-6,13,15H,7-12H2,1-2H3
InChIKeyJQUXSYNGQWDWDG-UHFFFAOYSA-N
XLogP3.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine (CID 54767744) is 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine is CN(C)CCC(c1cc2ccccc2s1)N1CCOCC1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is JQUXSYNGQWDWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-18(2)8-7-15(19-9-11-20-12-10-19)17-13-14-5-3-4-6-16(14)21-17/h3-6,13,15H,7-12H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 54767744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).