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

C15H28N2OS — CID 103967818

IUPACN-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCCCOCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H28N2OS/c1-2-3-10-18-11-9-16-14-17-12-15(13-19-14)7-5-4-6-8-15/h2-13H2,1H3,(H,16,17)
InChIKeyWOHGKSHDJAHNKA-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.45
Rot. Bonds6

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

N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967818) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967818
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCCCCOCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C15H28N2OS/c1-2-3-10-18-11-9-16-14-17-12-15(13-19-14)7-5-4-6-8-15/h2-13H2,1H3,(H,16,17)
InChIKeyWOHGKSHDJAHNKA-UHFFFAOYSA-N
XLogP3.45
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.45
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-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-(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-(oxan-4-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967693
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-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967818) is N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CCCCOCCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is WOHGKSHDJAHNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-2-3-10-18-11-9-16-14-17-12-15(13-19-14)7-5-4-6-8-15/h2-13H2,1H3,(H,16,17).
What are the key properties of N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 284.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).