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

C15H26N2O2S — CID 104763295

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOC1(CNC2=NCC3(CCCCC3)CS2)CCOC1
InChIInChI=1S/C15H26N2O2S/c1-18-15(7-8-19-11-15)10-17-13-16-9-14(12-20-13)5-3-2-4-6-14/h2-12H2,1H3,(H,16,17)
InChIKeyXPOJWGYQHBVFSJ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.43
Rot. Bonds3

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

N-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 104763295) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID104763295
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOC1(CNC2=NCC3(CCCCC3)CS2)CCOC1
InChIInChI=1S/C15H26N2O2S/c1-18-15(7-8-19-11-15)10-17-13-16-9-14(12-20-13)5-3-2-4-6-14/h2-12H2,1H3,(H,16,17)
InChIKeyXPOJWGYQHBVFSJ-UHFFFAOYSA-N
XLogP2.43
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967708
N-[2-(2-methoxyethoxy)ethyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967803
N-[(2-methyloxolan-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967978
N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 104763293
N-[(3-methoxyoxolan-3-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 104763301
N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 104763305
N-[3-(2-methoxyethoxy)propyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105682568
N-(2,3-dimethoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105702911
N-[(2-methyloxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105743886
5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106251488
N-[(3-methoxyoxolan-3-yl)methyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285614
5-(2,2-dimethylpropyl)-N-[(3-methoxyoxolan-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154750

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 104763295) is N-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is COC1(CNC2=NCC3(CCCCC3)CS2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is XPOJWGYQHBVFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-18-15(7-8-19-11-15)10-17-13-16-9-14(12-20-13)5-3-2-4-6-14/h2-12H2,1H3,(H,16,17).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 298.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 104763295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).