N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine

C12H21N3OS — CID 83017498

IUPACN-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine
SMILESC1CCC2(C1)CN=C(NN1CCOCC1)SC2
InChIInChI=1S/C12H21N3OS/c1-2-4-12(3-1)9-13-11(17-10-12)14-15-5-7-16-8-6-15/h1-10H2,(H,13,14)
InChIKeyKLJKQSINNCYPSJ-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.49
Rot. Bonds1

About N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine

N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine (PubChem CID 83017498) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine
PubChem CID83017498
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine
SMILESC1CCC2(C1)CN=C(NN1CCOCC1)SC2
InChIInChI=1S/C12H21N3OS/c1-2-4-12(3-1)9-13-11(17-10-12)14-15-5-7-16-8-6-15/h1-10H2,(H,13,14)
InChIKeyKLJKQSINNCYPSJ-UHFFFAOYSA-N
XLogP1.49
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine?
The IUPAC name of N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine (CID 83017498) is N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine.
What is the SMILES notation for N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine?
The canonical SMILES for N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine is C1CCC2(C1)CN=C(NN1CCOCC1)SC2.
What is the InChIKey of N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine?
The InChIKey is KLJKQSINNCYPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-4-12(3-1)9-13-11(17-10-12)14-15-5-7-16-8-6-15/h1-10H2,(H,13,14).
What are the key properties of N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine?
N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine has a molecular weight of 255.39 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-thia-9-azaspiro[4.5]dec-8-en-8-yl)morpholin-4-amine is sourced from PubChem (CID 83017498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).