1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine

C13H21N3O2S — CID 105170316

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
SMILESCNC(c1snnc1C)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H21N3O2S/c1-9-12(19-16-15-9)11(14-2)10-3-5-18-13(7-10)4-6-17-8-13/h10-11,14H,3-8H2,1-2H3
InChIKeyLBGONGUUVSUGBM-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.69
Rot. Bonds3

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine (PubChem CID 105170316) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
PubChem CID105170316
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
SMILESCNC(c1snnc1C)C1CCOC2(CCOC2)C1
InChIInChI=1S/C13H21N3O2S/c1-9-12(19-16-15-9)11(14-2)10-3-5-18-13(7-10)4-6-17-8-13/h10-11,14H,3-8H2,1-2H3
InChIKeyLBGONGUUVSUGBM-UHFFFAOYSA-N
XLogP1.69
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-dimethyl-3-pyridinyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105170298
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105170205
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 79914297
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755659
2,6-dioxaspiro[4.5]decan-9-yl-(4-propylthiadiazol-5-yl)methanol
CID 105116403
1-(2,6-dioxaspiro[4.5]decan-9-yl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79911371
1-(3-chlorothiophen-2-yl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylmethanamine
CID 105012018
2,6-dioxaspiro[4.5]decan-9-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105116344
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169889
1-(4-chloro-3-methylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017166
1-(3-bromo-2-methylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017007
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105012049

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine (CID 105170316) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine is CNC(c1snnc1C)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The InChIKey is LBGONGUUVSUGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-12(19-16-15-9)11(14-2)10-3-5-18-13(7-10)4-6-17-8-13/h10-11,14H,3-8H2,1-2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine has a molecular weight of 283.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105170316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).