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

C14H26N2OS — CID 104763254

IUPACN-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(C)OCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2OS/c1-12(2)17-9-8-15-13-16-10-14(11-18-13)6-4-3-5-7-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyXDVLHTSQGMALTF-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.05
Rot. Bonds4

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

N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 104763254) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID104763254
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCC(C)OCCNC1=NCC2(CCCCC2)CS1
InChIInChI=1S/C14H26N2OS/c1-12(2)17-9-8-15-13-16-10-14(11-18-13)6-4-3-5-7-14/h12H,3-11H2,1-2H3,(H,15,16)
InChIKeyXDVLHTSQGMALTF-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.05
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-(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-[1-(oxolan-2-yl)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967680
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

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 104763254) is N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CC(C)OCCNC1=NCC2(CCCCC2)CS1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is XDVLHTSQGMALTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-12(2)17-9-8-15-13-16-10-14(11-18-13)6-4-3-5-7-14/h12H,3-11H2,1-2H3,(H,15,16).
What are the key properties of N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 270.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 104763254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).