N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine

C12H19N3OS — CID 105166211

IUPACN-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1cnsn1)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H19N3OS/c1-13-11(10-8-14-17-15-10)9-3-6-16-12(7-9)4-2-5-12/h8-9,11,13H,2-7H2,1H3
InChIKeyCCZRNNMLMGJUAL-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.15
Rot. Bonds3

About N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine

N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 105166211) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID105166211
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1cnsn1)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H19N3OS/c1-13-11(10-8-14-17-15-10)9-3-6-16-12(7-9)4-2-5-12/h8-9,11,13H,2-7H2,1H3
InChIKeyCCZRNNMLMGJUAL-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105147508
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105170113
N-methyl-1-(4-methyl-2-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914962
N-methyl-1-(1-methylpyrazol-4-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911590
1-(6-methoxypyrimidin-4-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 102951343
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
1-(5-iodothiophen-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010075
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 106692578
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-1-pyridazin-4-ylmethanamine
CID 105169878
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79912066
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 103406702
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 105169889

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine (CID 105166211) is N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine is CNC(c1cnsn1)C1CCOC2(CCC2)C1.
What is the InChIKey of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is CCZRNNMLMGJUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-13-11(10-8-14-17-15-10)9-3-6-16-12(7-9)4-2-5-12/h8-9,11,13H,2-7H2,1H3.
What are the key properties of N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 253.37 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 105166211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).