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

C15H27N3OS — CID 103967963

IUPACN-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCN1CCOC(CNC2=NCC3(CCCCC3)CS2)C1
InChIInChI=1S/C15H27N3OS/c1-18-7-8-19-13(10-18)9-16-14-17-11-15(12-20-14)5-3-2-4-6-15/h13H,2-12H2,1H3,(H,16,17)
InChIKeyHCTMFPKFDDRNQB-UHFFFAOYSA-N
MW297.47 g/mol
LogP1.96
Rot. Bonds2

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

N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 103967963) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID103967963
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESCN1CCOC(CNC2=NCC3(CCCCC3)CS2)C1
InChIInChI=1S/C15H27N3OS/c1-18-7-8-19-13(10-18)9-16-14-17-11-15(12-20-14)5-3-2-4-6-15/h13H,2-12H2,1H3,(H,16,17)
InChIKeyHCTMFPKFDDRNQB-UHFFFAOYSA-N
XLogP1.96
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967543
N-(2-morpholin-4-ylethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967625
N-(3-morpholin-4-ylpropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967664
N-(1,4-dioxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967708
N-(1-morpholin-4-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967748
N-(oxan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967784
N-(2-butoxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967818
N'-(2-methoxyethyl)-N'-methyl-N-(2-thia-4-azaspiro[5.5]undec-3-en-3-yl)ethane-1,2-diamine
CID 103967864
N-(oxan-3-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967891
N-(2-cyclohexyloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967900
N-(2-propan-2-yloxyethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 104763254
N-(2,3-dimethoxypropyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 105702911

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine (CID 103967963) is N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is CN1CCOC(CNC2=NCC3(CCCCC3)CS2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is HCTMFPKFDDRNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-18-7-8-19-13(10-18)9-16-14-17-11-15(12-20-14)5-3-2-4-6-15/h13H,2-12H2,1H3,(H,16,17).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine?
N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 297.47 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 103967963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).