N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine

C14H25NO3S — CID 65294947

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCCOC1CC(NC2(C)CCS(=O)(=O)C2)C12CCC2
InChIInChI=1S/C14H25NO3S/c1-3-18-12-9-11(14(12)5-4-6-14)15-13(2)7-8-19(16,17)10-13/h11-12,15H,3-10H2,1-2H3
InChIKeyMLTOOOZPOKUEIQ-UHFFFAOYSA-N
MW287.42 g/mol
LogP1.50
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 65294947) has the molecular formula C14H25NO3S and a molecular weight of 287.42 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID65294947
Molecular FormulaC14H25NO3S
Molecular Weight287.42 g/mol
Exact Mass287.16
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine
SMILESCCOC1CC(NC2(C)CCS(=O)(=O)C2)C12CCC2
InChIInChI=1S/C14H25NO3S/c1-3-18-12-9-11(14(12)5-4-6-14)15-13(2)7-8-19(16,17)10-13/h11-12,15H,3-10H2,1-2H3
InChIKeyMLTOOOZPOKUEIQ-UHFFFAOYSA-N
XLogP1.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine 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

(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
CID 65294430
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine
CID 83009867
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine (CID 65294947) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine is CCOC1CC(NC2(C)CCS(=O)(=O)C2)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is MLTOOOZPOKUEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3S/c1-3-18-12-9-11(14(12)5-4-6-14)15-13(2)7-8-19(16,17)10-13/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 287.42 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 65294947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).