N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C14H26N2O2S — CID 103967803

IUPACN-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCCOCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2O2S/c1-17-9-10-18-8-7-15-13-16-11-14(12-19-13)5-3-2-4-6-14/h2-12H2,1H3,(H,15,16)
InChIKeyOSCZLXWPRHDDQD-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967803) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967803
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCCOCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2O2S/c1-17-9-10-18-8-7-15-13-16-11-14(12-19-13)5-3-2-4-6-14/h2-12H2,1H3,(H,15,16)
InChIKeyOSCZLXWPRHDDQD-UHFFFAOYSA-N
XLogP2.29
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-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

N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967901
N-[2-(2,2-difluoroethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105916897
N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967543
N-(1-methoxypropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967571
N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967625
N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967659
N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967708
N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967799
N-[2-(3-methylbutoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967817
N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967818
N-(3-methoxy-2-methylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967825
N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
CID 103967864

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967803) is N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is COCCOCCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is OSCZLXWPRHDDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-17-9-10-18-8-7-15-13-16-11-14(12-19-13)5-3-2-4-6-14/h2-12H2,1H3,(H,15,16).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 286.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).