2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine

C16H21NOS — CID 107155156

IUPAC2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine
SMILESCC(C)CC1CNCC(c2cc3ccccc3s2)O1
InChIInChI=1S/C16H21NOS/c1-11(2)7-13-9-17-10-14(18-13)16-8-12-5-3-4-6-15(12)19-16/h3-6,8,11,13-14,17H,7,9-10H2,1-2H3
InChIKeyFJHIBAAFPAFTIS-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.98
Rot. Bonds3

About 2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine

2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine (PubChem CID 107155156) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine
PubChem CID107155156
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine
SMILESCC(C)CC1CNCC(c2cc3ccccc3s2)O1
InChIInChI=1S/C16H21NOS/c1-11(2)7-13-9-17-10-14(18-13)16-8-12-5-3-4-6-15(12)19-16/h3-6,8,11,13-14,17H,7,9-10H2,1-2H3
InChIKeyFJHIBAAFPAFTIS-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine (CID 107155156) is 2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine is CC(C)CC1CNCC(c2cc3ccccc3s2)O1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine?
The InChIKey is FJHIBAAFPAFTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11(2)7-13-9-17-10-14(18-13)16-8-12-5-3-4-6-15(12)19-16/h3-6,8,11,13-14,17H,7,9-10H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine?
2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine has a molecular weight of 275.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine is sourced from PubChem (CID 107155156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).