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

C15H28N2OS — CID 103967942

IUPACN-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCC(NC1=NCC2(CCCCC2)CS1)C(C)C
InChIInChI=1S/C15H28N2OS/c1-12(2)13(9-18-3)17-14-16-10-15(11-19-14)7-5-4-6-8-15/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyWUBKCMTYEFHZEA-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.30
Rot. Bonds4

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

N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967942) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967942
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCOCC(NC1=NCC2(CCCCC2)CS1)C(C)C
InChIInChI=1S/C15H28N2OS/c1-12(2)13(9-18-3)17-14-16-10-15(11-19-14)7-5-4-6-8-15/h12-13H,4-11H2,1-3H3,(H,16,17)
InChIKeyWUBKCMTYEFHZEA-UHFFFAOYSA-N
XLogP3.30
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967942) is N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is COCC(NC1=NCC2(CCCCC2)CS1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is WUBKCMTYEFHZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-12(2)13(9-18-3)17-14-16-10-15(11-19-14)7-5-4-6-8-15/h12-13H,4-11H2,1-3H3,(H,16,17).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 284.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).