4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine

C14H17NOS — CID 117185055

IUPAC4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine
SMILESCc1ccc2scc(CN3CCOCC3)c2c1
InChIInChI=1S/C14H17NOS/c1-11-2-3-14-13(8-11)12(10-17-14)9-15-4-6-16-7-5-15/h2-3,8,10H,4-7,9H2,1H3
InChIKeyZAXJSFUXAUTUFI-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.04
Rot. Bonds2

About 4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine

4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine (PubChem CID 117185055) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine
PubChem CID117185055
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine
SMILESCc1ccc2scc(CN3CCOCC3)c2c1
InChIInChI=1S/C14H17NOS/c1-11-2-3-14-13(8-11)12(10-17-14)9-15-4-6-16-7-5-15/h2-3,8,10H,4-7,9H2,1H3
InChIKeyZAXJSFUXAUTUFI-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methyl-1-benzothiophen-3-yl)methyl]azepane
CID 117185053
4-[(6-bromo-1-benzothiophen-3-yl)methyl]morpholine
CID 117178058
4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117185177
4-[(5-methyl-1-benzothiophen-2-yl)methyl]morpholine
CID 117185317
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-4-methylpiperazine
CID 117174687
ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 144816585
1-[(5-bromo-1-benzothiophen-3-yl)methyl]piperazine
CID 117174683
4-methyl-2,6-bis(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenol
CID 10462009
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
1-[(5-chloro-1-benzothiophen-3-yl)methyl]-4-(1-phenylethyl)piperazine
CID 59382000

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine?
The IUPAC name of 4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine (CID 117185055) is 4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine is Cc1ccc2scc(CN3CCOCC3)c2c1.
What is the InChIKey of 4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine?
The InChIKey is ZAXJSFUXAUTUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11-2-3-14-13(8-11)12(10-17-14)9-15-4-6-16-7-5-15/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine?
4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine has a molecular weight of 247.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine is sourced from PubChem (CID 117185055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).