N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C14H24N2O2S — CID 104763305

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCOC1(CNC2=NCC3(CCCC3)CS2)CCOC1
InChIInChI=1S/C14H24N2O2S/c1-17-14(6-7-18-10-14)9-16-12-15-8-13(11-19-12)4-2-3-5-13/h2-11H2,1H3,(H,15,16)
InChIKeyYSFMXORPTFHLAU-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.04
Rot. Bonds3

About N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 104763305) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID104763305
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCOC1(CNC2=NCC3(CCCC3)CS2)CCOC1
InChIInChI=1S/C14H24N2O2S/c1-17-14(6-7-18-10-14)9-16-12-15-8-13(11-19-12)4-2-3-5-13/h2-11H2,1H3,(H,15,16)
InChIKeyYSFMXORPTFHLAU-UHFFFAOYSA-N
XLogP2.04
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 104763305) is N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is COC1(CNC2=NCC3(CCCC3)CS2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is YSFMXORPTFHLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-17-14(6-7-18-10-14)9-16-12-15-8-13(11-19-12)4-2-3-5-13/h2-11H2,1H3,(H,15,16).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 284.42 g/mol, XLogP of 2.04, 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]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 104763305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).