N-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine

C13H23N3OS — CID 83019191

IUPACN-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine
SMILESCC1CCC2(CC1)CSC(NN1CCOCC1)=N2
InChIInChI=1S/C13H23N3OS/c1-11-2-4-13(5-3-11)10-18-12(14-13)15-16-6-8-17-9-7-16/h11H,2-10H2,1H3,(H,14,15)
InChIKeyUWPGQOSJDASPNW-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.87
Rot. Bonds1

About N-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine

N-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine (PubChem CID 83019191) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine
PubChem CID83019191
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine
SMILESCC1CCC2(CC1)CSC(NN1CCOCC1)=N2
InChIInChI=1S/C13H23N3OS/c1-11-2-4-13(5-3-11)10-18-12(14-13)15-16-6-8-17-9-7-16/h11H,2-10H2,1H3,(H,14,15)
InChIKeyUWPGQOSJDASPNW-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-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine
CID 83017498
N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine
CID 83018753
N-[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine
CID 83019060
N-(4,4-diethyl-5H-1,3-thiazol-2-yl)morpholin-4-amine
CID 83019190
N-(7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine
CID 83019304
N-(3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine
CID 83019413
N-(4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine
CID 106166508
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-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine?
The IUPAC name of N-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine (CID 83019191) is N-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine.
What is the SMILES notation for N-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine?
The canonical SMILES for N-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine is CC1CCC2(CC1)CSC(NN1CCOCC1)=N2.
What is the InChIKey of N-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine?
The InChIKey is UWPGQOSJDASPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-11-2-4-13(5-3-11)10-18-12(14-13)15-16-6-8-17-9-7-16/h11H,2-10H2,1H3,(H,14,15).
What are the key properties of N-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine?
N-(8-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-(8-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-yl)morpholin-4-amine is sourced from PubChem (CID 83019191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).