4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride

C13H16ClNOS — CID 15945816

IUPAC4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride
SMILESCl.c1ccc2c(CN3CCOCC3)csc2c1
InChIInChI=1S/C13H15NOS.ClH/c1-2-4-13-12(3-1)11(10-16-13)9-14-5-7-15-8-6-14;/h1-4,10H,5-9H2;1H
InChIKeyDGQVALGRDUEXQX-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.16
Rot. Bonds2

About 4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride

4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride (PubChem CID 15945816) has the molecular formula C13H16ClNOS and a molecular weight of 269.80 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride
PubChem CID15945816
Molecular FormulaC13H16ClNOS
Molecular Weight269.80 g/mol
Exact Mass269.06
IUPAC Name4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride
SMILESCl.c1ccc2c(CN3CCOCC3)csc2c1
InChIInChI=1S/C13H15NOS.ClH/c1-2-4-13-12(3-1)11(10-16-13)9-14-5-7-15-8-6-14;/h1-4,10H,5-9H2;1H
InChIKeyDGQVALGRDUEXQX-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride?
The IUPAC name of 4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride (CID 15945816) is 4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride?
The canonical SMILES for 4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride is Cl.c1ccc2c(CN3CCOCC3)csc2c1.
What is the InChIKey of 4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride?
The InChIKey is DGQVALGRDUEXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS.ClH/c1-2-4-13-12(3-1)11(10-16-13)9-14-5-7-15-8-6-14;/h1-4,10H,5-9H2;1H.
What are the key properties of 4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride?
4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride has a molecular weight of 269.80 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-ylmethyl)morpholine;hydrochloride is sourced from PubChem (CID 15945816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).