N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine

C13H23N3OS — CID 113359783

IUPACN-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine
SMILESC1CCC2(CC1)CN=C(NN1CCOCC1)SC2
InChIInChI=1S/C13H23N3OS/c1-2-4-13(5-3-1)10-14-12(18-11-13)15-16-6-8-17-9-7-16/h1-11H2,(H,14,15)
InChIKeyVUZWUSYMBGRXRP-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.88
Rot. Bonds1

About N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine

N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine (PubChem CID 113359783) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine
PubChem CID113359783
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine
SMILESC1CCC2(CC1)CN=C(NN1CCOCC1)SC2
InChIInChI=1S/C13H23N3OS/c1-2-4-13(5-3-1)10-14-12(18-11-13)15-16-6-8-17-9-7-16/h1-11H2,(H,14,15)
InChIKeyVUZWUSYMBGRXRP-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine?
The IUPAC name of N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine (CID 113359783) is N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine.
What is the SMILES notation for N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine?
The canonical SMILES for N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine is C1CCC2(CC1)CN=C(NN1CCOCC1)SC2.
What is the InChIKey of N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine?
The InChIKey is VUZWUSYMBGRXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-2-4-13(5-3-1)10-14-12(18-11-13)15-16-6-8-17-9-7-16/h1-11H2,(H,14,15).
What are the key properties of N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine?
N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine has a molecular weight of 269.41 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)morpholin-4-amine is sourced from PubChem (CID 113359783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).