1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone

C13H17NO3S — CID 119037778

IUPAC1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCOCC12CCOC2
InChIInChI=1S/C13H17NO3S/c15-12(8-11-2-1-7-18-11)14-4-6-17-10-13(14)3-5-16-9-13/h1-2,7H,3-6,8-10H2
InChIKeyBVKIZYYVWDZKOR-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.31
Rot. Bonds2

About 1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone

1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone (PubChem CID 119037778) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone
PubChem CID119037778
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCOCC12CCOC2
InChIInChI=1S/C13H17NO3S/c15-12(8-11-2-1-7-18-11)14-4-6-17-10-13(14)3-5-16-9-13/h1-2,7H,3-6,8-10H2
InChIKeyBVKIZYYVWDZKOR-UHFFFAOYSA-N
XLogP1.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone 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

1-[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-2-thiophen-3-ylethanone
CID 99841411
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone
CID 97494383
4-(1-benzothiophen-3-yl)-1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)butan-1-one
CID 126812463
3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid
CID 63774395
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 110352787
1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one
CID 124627376
1-[(2R,5S)-2-[(dimethylamino)methyl]-1,10-dioxa-7-azaspiro[4.6]undecan-7-yl]-2-thiophen-2-ylethanone
CID 97385846
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 110327319
1-(3-amino-2,2-dimethylpiperidin-1-yl)-2-thiophen-2-ylethanone
CID 115269326
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-thiophen-2-ylethanone
CID 110721392
3-amino-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892897

Frequently Asked Questions

What is the IUPAC name of 1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone (CID 119037778) is 1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCOCC12CCOC2.
What is the InChIKey of 1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone?
The InChIKey is BVKIZYYVWDZKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(8-11-2-1-7-18-11)14-4-6-17-10-13(14)3-5-16-9-13/h1-2,7H,3-6,8-10H2.
What are the key properties of 1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone?
1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone has a molecular weight of 267.35 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 119037778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).