8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane

C17H21NOS — CID 114910393

IUPAC8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
SMILESc1ccc2sc(C3CNCC4(CCCC4)CO3)cc2c1
InChIInChI=1S/C17H21NOS/c1-2-6-15-13(5-1)9-16(20-15)14-10-18-11-17(12-19-14)7-3-4-8-17/h1-2,5-6,9,14,18H,3-4,7-8,10-12H2
InChIKeyGUXPDXPESVFSEQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.12
Rot. Bonds1

About 8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane

8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane (PubChem CID 114910393) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane.

Molecular Properties

Compound Name8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
PubChem CID114910393
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
SMILESc1ccc2sc(C3CNCC4(CCCC4)CO3)cc2c1
InChIInChI=1S/C17H21NOS/c1-2-6-15-13(5-1)9-16(20-15)14-10-18-11-17(12-19-14)7-3-4-8-17/h1-2,5-6,9,14,18H,3-4,7-8,10-12H2
InChIKeyGUXPDXPESVFSEQ-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-2-yl)-6,6-diethyl-1,4-oxazepane
CID 106253305
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968939
8-(3-methylthiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane
CID 113294388
9-(2-methylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968950
8-(3-bromophenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361972
8-[2-(difluoromethoxy)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115362032
9-(2,4,6-trimethylphenyl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968892
8-(4-tert-butylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115361978
8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115362003
8-[4-(trifluoromethyl)phenyl]-7-oxa-10-azaspiro[4.6]undecane
CID 115361991
2-(1-benzothiophen-2-yl)-6-(2-methylpropyl)morpholine
CID 107155156
4-(1-benzothiophen-2-yl)piperidine
CID 22028239

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane?
The IUPAC name of 8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane (CID 114910393) is 8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane.
What is the SMILES notation for 8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane?
The canonical SMILES for 8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane is c1ccc2sc(C3CNCC4(CCCC4)CO3)cc2c1.
What is the InChIKey of 8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane?
The InChIKey is GUXPDXPESVFSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-6-15-13(5-1)9-16(20-15)14-10-18-11-17(12-19-14)7-3-4-8-17/h1-2,5-6,9,14,18H,3-4,7-8,10-12H2.
What are the key properties of 8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane?
8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane has a molecular weight of 287.43 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzothiophen-2-yl)-7-oxa-10-azaspiro[4.6]undecane is sourced from PubChem (CID 114910393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).