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

C11H19N3O2S — CID 106298879

IUPACN-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESC1CN(NC2=NC3(CCOCC3)CS2)CCO1
InChIInChI=1S/C11H19N3O2S/c1-5-15-6-2-11(1)9-17-10(12-11)13-14-3-7-16-8-4-14/h1-9H2,(H,12,13)
InChIKeyUPVJAXAMANMTGS-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.48
Rot. Bonds1

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

N-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (PubChem CID 106298879) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.

Molecular Properties

Compound NameN-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
PubChem CID106298879
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
SMILESC1CN(NC2=NC3(CCOCC3)CS2)CCO1
InChIInChI=1S/C11H19N3O2S/c1-5-15-6-2-11(1)9-17-10(12-11)13-14-3-7-16-8-4-14/h1-9H2,(H,12,13)
InChIKeyUPVJAXAMANMTGS-UHFFFAOYSA-N
XLogP0.48
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The IUPAC name of N-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine (CID 106298879) is N-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine.
What is the SMILES notation for N-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The canonical SMILES for N-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is C1CN(NC2=NC3(CCOCC3)CS2)CCO1.
What is the InChIKey of N-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
The InChIKey is UPVJAXAMANMTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-5-15-6-2-11(1)9-17-10(12-11)13-14-3-7-16-8-4-14/h1-9H2,(H,12,13).
What are the key properties of N-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine?
N-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine has a molecular weight of 257.36 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-8-oxa-3-thia-1-azaspiro[4.5]dec-1-en-2-amine is sourced from PubChem (CID 106298879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).