N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

C15H28N2OS — CID 103967921

IUPACN-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCCC(COC)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H28N2OS/c1-3-7-13(10-18-2)17-14-16-11-15(12-19-14)8-5-4-6-9-15/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeySSGNODSMQVVRSB-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.44
Rot. Bonds5

About N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine

N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967921) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967921
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCCC(COC)NC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H28N2OS/c1-3-7-13(10-18-2)17-14-16-11-15(12-19-14)8-5-4-6-9-15/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeySSGNODSMQVVRSB-UHFFFAOYSA-N
XLogP3.44
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methoxypentan-2-yl)-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-(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-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967680
N-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967693
N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967748
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
N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967803

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967921) is N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CCCC(COC)NC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is SSGNODSMQVVRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-3-7-13(10-18-2)17-14-16-11-15(12-19-14)8-5-4-6-9-15/h13H,3-12H2,1-2H3,(H,16,17).
What are the key properties of N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 284.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).