6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane

C10H13NOS — CID 118904260

IUPAC6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane
SMILESc1cc(N2CCC3(CC2)CO3)cs1
InChIInChI=1S/C10H13NOS/c1-6-13-7-9(1)11-4-2-10(3-5-11)8-12-10/h1,6-7H,2-5,8H2
InChIKeyCHODLLACTOBAFU-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.12
Rot. Bonds1

About 6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane

6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane (PubChem CID 118904260) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane.

Molecular Properties

Compound Name6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane
PubChem CID118904260
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane
SMILESc1cc(N2CCC3(CC2)CO3)cs1
InChIInChI=1S/C10H13NOS/c1-6-13-7-9(1)11-4-2-10(3-5-11)8-12-10/h1,6-7H,2-5,8H2
InChIKeyCHODLLACTOBAFU-UHFFFAOYSA-N
XLogP2.12
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-(4-bromophenyl)-1-oxa-6-azaspiro[2.5]octane
CID 162742042
(3-methyl-1-thiophen-3-ylpyrrolidin-3-yl)methanamine
CID 130562612
9-(5-fluoropyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97385661
6-[3-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[2.5]octane
CID 118904692
1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine]
CID 68577015
1-thiophen-3-ylpyrrolidin-3-amine
CID 65099888
9-(5-methylpyrimidin-2-yl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743030
1-thiophen-3-ylpyrazolidine
CID 175153310
2-thiophen-3-yl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79932456
9-(pyrazine-2-carbonyl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451112
9-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451101
9-[(4-fluorophenyl)methyl]-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97372532

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane?
The IUPAC name of 6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane (CID 118904260) is 6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane.
What is the SMILES notation for 6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane?
The canonical SMILES for 6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane is c1cc(N2CCC3(CC2)CO3)cs1.
What is the InChIKey of 6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane?
The InChIKey is CHODLLACTOBAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-6-13-7-9(1)11-4-2-10(3-5-11)8-12-10/h1,6-7H,2-5,8H2.
What are the key properties of 6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane?
6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane has a molecular weight of 195.29 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-3-yl-1-oxa-6-azaspiro[2.5]octane is sourced from PubChem (CID 118904260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).