4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine

C16H18N2OS — CID 141274171

IUPAC4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine
SMILESc1cc2c(c(-c3cc(N4CCOCC4)cs3)c1)CCN2
InChIInChI=1S/C16H18N2OS/c1-2-14(13-4-5-17-15(13)3-1)16-10-12(11-20-16)18-6-8-19-9-7-18/h1-3,10-11,17H,4-9H2
InChIKeyMAWAJFBGMUVQOJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.22
Rot. Bonds2

About 4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine

4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine (PubChem CID 141274171) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine
PubChem CID141274171
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine
SMILESc1cc2c(c(-c3cc(N4CCOCC4)cs3)c1)CCN2
InChIInChI=1S/C16H18N2OS/c1-2-14(13-4-5-17-15(13)3-1)16-10-12(11-20-16)18-6-8-19-9-7-18/h1-3,10-11,17H,4-9H2
InChIKeyMAWAJFBGMUVQOJ-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine?
The IUPAC name of 4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine (CID 141274171) is 4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine.
What is the SMILES notation for 4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine?
The canonical SMILES for 4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine is c1cc2c(c(-c3cc(N4CCOCC4)cs3)c1)CCN2.
What is the InChIKey of 4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine?
The InChIKey is MAWAJFBGMUVQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-14(13-4-5-17-15(13)3-1)16-10-12(11-20-16)18-6-8-19-9-7-18/h1-3,10-11,17H,4-9H2.
What are the key properties of 4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine?
4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine has a molecular weight of 286.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dihydro-1H-indol-4-yl)thiophen-3-yl]morpholine is sourced from PubChem (CID 141274171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).