(5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone

C11H12BrNO3S — CID 130914668

IUPAC(5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCC2(C1)OCCO2
InChIInChI=1S/C11H12BrNO3S/c12-9-5-8(6-17-9)10(14)13-2-1-11(7-13)15-3-4-16-11/h5-6H,1-4,7H2
InChIKeyRYINURBRJMWRIP-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.10
Rot. Bonds1

About (5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone

(5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone (PubChem CID 130914668) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
PubChem CID130914668
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name(5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESO=C(c1csc(Br)c1)N1CCC2(C1)OCCO2
InChIInChI=1S/C11H12BrNO3S/c12-9-5-8(6-17-9)10(14)13-2-1-11(7-13)15-3-4-16-11/h5-6H,1-4,7H2
InChIKeyRYINURBRJMWRIP-UHFFFAOYSA-N
XLogP2.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-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

Related Compounds

(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 35024932
(3-bromo-5-methylphenyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 99631542
(3,5-dibromophenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103909366
1-(5-bromothiophene-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55178525
(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 103722220
1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 55165489
1-(5-bromothiophene-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145761
(5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43647141
(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403242
1-(5-bromothiophene-3-carbonyl)-4-methylsulfanylpiperidine-4-carbonitrile
CID 114021231
1,4-dioxa-7-azaspiro[4.4]nonan-7-yl-(3-ethylthiophen-2-yl)methanone
CID 131122689
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone (CID 130914668) is (5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone is O=C(c1csc(Br)c1)N1CCC2(C1)OCCO2.
What is the InChIKey of (5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is RYINURBRJMWRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3S/c12-9-5-8(6-17-9)10(14)13-2-1-11(7-13)15-3-4-16-11/h5-6H,1-4,7H2.
What are the key properties of (5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
(5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 318.19 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 130914668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).