N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

C14H25N3OS — CID 115361756

IUPACN-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCN1CCOC(CNC2=NCC3(CCCC3)CS2)C1
InChIInChI=1S/C14H25N3OS/c1-17-6-7-18-12(9-17)8-15-13-16-10-14(11-19-13)4-2-3-5-14/h12H,2-11H2,1H3,(H,15,16)
InChIKeyXOSGEXKGMYOOHB-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.57
Rot. Bonds2

About N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine

N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (PubChem CID 115361756) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
PubChem CID115361756
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
SMILESCN1CCOC(CNC2=NCC3(CCCC3)CS2)C1
InChIInChI=1S/C14H25N3OS/c1-17-6-7-18-12(9-17)8-15-13-16-10-14(11-19-13)4-2-3-5-14/h12H,2-11H2,1H3,(H,15,16)
InChIKeyXOSGEXKGMYOOHB-UHFFFAOYSA-N
XLogP1.57
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 79071671
N-[(1-ethylpyrrolidin-3-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361289
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
N-(thiolan-2-ylmethyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 113359779
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
N-(1,4-dioxan-2-ylmethyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106250265
5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120970692
N-[(1-methylcyclobutyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 106813132
4,4-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]cyclohexan-1-amine
CID 79032963
6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80850810
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 79072334

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine (CID 115361756) is N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is CN1CCOC(CNC2=NCC3(CCCC3)CS2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
The InChIKey is XOSGEXKGMYOOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-17-6-7-18-12(9-17)8-15-13-16-10-14(11-19-13)4-2-3-5-14/h12H,2-11H2,1H3,(H,15,16).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine?
N-[(4-methylmorpholin-2-yl)methyl]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine has a molecular weight of 283.44 g/mol, XLogP of 1.57, 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]-7-thia-9-azaspiro[4.5]dec-8-en-8-amine is sourced from PubChem (CID 115361756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).