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

C12H22N2OS — CID 103967543

IUPACN-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C12H22N2OS/c1-15-8-7-13-11-14-9-12(10-16-11)5-3-2-4-6-12/h2-10H2,1H3,(H,13,14)
InChIKeyJWVVDBGBWYSGGW-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.28
Rot. Bonds3

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

N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967543) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967543
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C12H22N2OS/c1-15-8-7-13-11-14-9-12(10-16-11)5-3-2-4-6-12/h2-10H2,1H3,(H,13,14)
InChIKeyJWVVDBGBWYSGGW-UHFFFAOYSA-N
XLogP2.28
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-methoxypropyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 102699428
N-ethyl-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967550
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-(oxolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967640
N-(3-methoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967659
N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967664
N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967708
N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967784
N-(4-methoxybutyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967799

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967543) is N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is COCCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is JWVVDBGBWYSGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-15-8-7-13-11-14-9-12(10-16-11)5-3-2-4-6-12/h2-10H2,1H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 242.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).