N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine

C11H19N3OS — CID 83018753

IUPACN-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine
SMILESC1CCC2(C1)CSC(NN1CCOCC1)=N2
InChIInChI=1S/C11H19N3OS/c1-2-4-11(3-1)9-16-10(12-11)13-14-5-7-15-8-6-14/h1-9H2,(H,12,13)
InChIKeyUGPULAOYSMUYKJ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.24
Rot. Bonds1

About N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine

N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine (PubChem CID 83018753) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine
PubChem CID83018753
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine
SMILESC1CCC2(C1)CSC(NN1CCOCC1)=N2
InChIInChI=1S/C11H19N3OS/c1-2-4-11(3-1)9-16-10(12-11)13-14-5-7-15-8-6-14/h1-9H2,(H,12,13)
InChIKeyUGPULAOYSMUYKJ-UHFFFAOYSA-N
XLogP1.24
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine?
The IUPAC name of N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine (CID 83018753) is N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine.
What is the SMILES notation for N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine?
The canonical SMILES for N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine is C1CCC2(C1)CSC(NN1CCOCC1)=N2.
What is the InChIKey of N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine?
The InChIKey is UGPULAOYSMUYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-4-11(3-1)9-16-10(12-11)13-14-5-7-15-8-6-14/h1-9H2,(H,12,13).
What are the key properties of N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine?
N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine has a molecular weight of 241.36 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)morpholin-4-amine is sourced from PubChem (CID 83018753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).