N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine

C13H23N3OS — CID 83019304

IUPACN-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine
SMILESCC1CCCC2(CSC(NN3CCOCC3)=N2)C1
InChIInChI=1S/C13H23N3OS/c1-11-3-2-4-13(9-11)10-18-12(14-13)15-16-5-7-17-8-6-16/h11H,2-10H2,1H3,(H,14,15)
InChIKeyHFHJDUFOWXHETM-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.87
Rot. Bonds1

About N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine

N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine (PubChem CID 83019304) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine
PubChem CID83019304
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine
SMILESCC1CCCC2(CSC(NN3CCOCC3)=N2)C1
InChIInChI=1S/C13H23N3OS/c1-11-3-2-4-13(9-11)10-18-12(14-13)15-16-5-7-17-8-6-16/h11H,2-10H2,1H3,(H,14,15)
InChIKeyHFHJDUFOWXHETM-UHFFFAOYSA-N
XLogP1.87
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine
CID 83018753
7-methyl-N-piperidin-1-yl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 83018896
N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine
CID 83019060
N-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine
CID 83019191
N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine
CID 83019413
N-(4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-yl)morpholin-4-amine
CID 106363574
N-(4,4a,5,6,7,7a-hexahydrocyclopenta[d][1,3]thiazin-2-yl)morpholin-4-amine
CID 106363575
N-[5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine
CID 107154663
N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine
CID 113359783
N-(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)morpholin-4-amine
CID 114168381

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine?
The IUPAC name of N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine (CID 83019304) is N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine.
What is the SMILES notation for N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine?
The canonical SMILES for N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine is CC1CCCC2(CSC(NN3CCOCC3)=N2)C1.
What is the InChIKey of N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine?
The InChIKey is HFHJDUFOWXHETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-11-3-2-4-13(9-11)10-18-12(14-13)15-16-5-7-17-8-6-16/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine?
N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine has a molecular weight of 269.41 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine is sourced from PubChem (CID 83019304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).