(2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

C15H26N2O2S — CID 155877921

IUPAC(2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCOCCNC1CSC2(C1)CN(C(=O)C1CC1(C)C)C2
InChIInChI=1S/C15H26N2O2S/c1-14(2)7-12(14)13(18)17-9-15(10-17)6-11(8-20-15)16-4-5-19-3/h11-12,16H,4-10H2,1-3H3
InChIKeyUORXGQRXEPZPOV-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.36
Rot. Bonds5

About (2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

(2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 155877921) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
PubChem CID155877921
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name(2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
SMILESCOCCNC1CSC2(C1)CN(C(=O)C1CC1(C)C)C2
InChIInChI=1S/C15H26N2O2S/c1-14(2)7-12(14)13(18)17-9-15(10-17)6-11(8-20-15)16-4-5-19-3/h11-12,16H,4-10H2,1-3H3
InChIKeyUORXGQRXEPZPOV-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-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

2-(4-chloro-2,5-dimethylphenyl)sulfonyl-N-(2-methoxyethyl)-5-thia-2-azaspiro[3.4]octan-7-amine
CID 155878044
2-(2,5-dimethoxyphenyl)sulfonyl-N-(2-methoxyethyl)-5-thia-2-azaspiro[3.4]octan-7-amine
CID 155878043
7-hydroxy-N-(2-methoxyethyl)-7-azadispiro[5.1.58.36]hexadecan-15-amine
CID 158372675
2-(dimethylamino)-1-[4-(2-methoxyethylamino)piperidin-1-yl]ethanone
CID 170895884
[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone
CID 130676353
2,3-dihydrofuran-4-yl-[7-(4-methoxyanilino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 155878488
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-(2-methoxyethyl)thian-4-amine;hydrochloride
CID 86811713
(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003166
2-[1-(2-methoxyethylcarbamoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658451
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]cyclopropanamine
CID 104560665

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 155877921) is (2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is COCCNC1CSC2(C1)CN(C(=O)C1CC1(C)C)C2.
What is the InChIKey of (2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
The InChIKey is UORXGQRXEPZPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-14(2)7-12(14)13(18)17-9-15(10-17)6-11(8-20-15)16-4-5-19-3/h11-12,16H,4-10H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?
(2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 298.45 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-[7-(2-methoxyethylamino)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 155877921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).