2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone

C14H17NO2S — CID 56811972

IUPAC2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)C1Cc2ccccc2S1
InChIInChI=1S/C14H17NO2S/c1-10-9-17-7-6-15(10)14(16)13-8-11-4-2-3-5-12(11)18-13/h2-5,10,13H,6-9H2,1H3
InChIKeyQGMNPLBORBKVJD-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.95
Rot. Bonds1

About 2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone

2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone (PubChem CID 56811972) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone
PubChem CID56811972
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)C1Cc2ccccc2S1
InChIInChI=1S/C14H17NO2S/c1-10-9-17-7-6-15(10)14(16)13-8-11-4-2-3-5-12(11)18-13/h2-5,10,13H,6-9H2,1H3
InChIKeyQGMNPLBORBKVJD-UHFFFAOYSA-N
XLogP1.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone (CID 56811972) is 2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)C1Cc2ccccc2S1.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone?
The InChIKey is QGMNPLBORBKVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-10-9-17-7-6-15(10)14(16)13-8-11-4-2-3-5-12(11)18-13/h2-5,10,13H,6-9H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone?
2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone has a molecular weight of 263.36 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-2-yl-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 56811972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).