4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine

C17H25NOS — CID 102745315

IUPAC4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(CC2Cc3ccccc3S2)CC(C)(C)O1
InChIInChI=1S/C17H25NOS/c1-16(2)11-18(12-17(3,4)19-16)10-14-9-13-7-5-6-8-15(13)20-14/h5-8,14H,9-12H2,1-4H3
InChIKeyJZLWAQNJCPOZFO-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.59
Rot. Bonds2

About 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine

4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine (PubChem CID 102745315) has the molecular formula C17H25NOS and a molecular weight of 291.46 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine
PubChem CID102745315
Molecular FormulaC17H25NOS
Molecular Weight291.46 g/mol
Exact Mass291.17
IUPAC Name4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(CC2Cc3ccccc3S2)CC(C)(C)O1
InChIInChI=1S/C17H25NOS/c1-16(2)11-18(12-17(3,4)19-16)10-14-9-13-7-5-6-8-15(13)20-14/h5-8,14H,9-12H2,1-4H3
InChIKeyJZLWAQNJCPOZFO-UHFFFAOYSA-N
XLogP3.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine (CID 102745315) is 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine is CC1(C)CN(CC2Cc3ccccc3S2)CC(C)(C)O1.
What is the InChIKey of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine?
The InChIKey is JZLWAQNJCPOZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS/c1-16(2)11-18(12-17(3,4)19-16)10-14-9-13-7-5-6-8-15(13)20-14/h5-8,14H,9-12H2,1-4H3.
What are the key properties of 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine?
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine has a molecular weight of 291.46 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 102745315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).