N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine

C8H13N3OS — CID 105147508

IUPACN-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1cnsn1)C1CCOC1
InChIInChI=1S/C8H13N3OS/c1-9-8(6-2-3-12-5-6)7-4-10-13-11-7/h4,6,8-9H,2-3,5H2,1H3
InChIKeyMXVYAHKRVVVNDT-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.84
Rot. Bonds3

About N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine

N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 105147508) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID105147508
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCNC(c1cnsn1)C1CCOC1
InChIInChI=1S/C8H13N3OS/c1-9-8(6-2-3-12-5-6)7-4-10-13-11-7/h4,6,8-9H,2-3,5H2,1H3
InChIKeyMXVYAHKRVVVNDT-UHFFFAOYSA-N
XLogP0.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105147610
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105166211
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
N-methyl-1-(2-methylpyrazol-3-yl)-1-(oxolan-3-yl)methanamine
CID 65330463
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103406022
N-methyl-1-(oxolan-3-yl)-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143203
1-isoquinolin-4-yl-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330415
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 105147665
1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61271037
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65298857
N-methyl-1-(2-methylfuran-3-yl)-1-(oxolan-3-yl)methanamine
CID 104789944
1-(cycloocten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 106653223

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine (CID 105147508) is N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine is CNC(c1cnsn1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is MXVYAHKRVVVNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-9-8(6-2-3-12-5-6)7-4-10-13-11-7/h4,6,8-9H,2-3,5H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine?
N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 199.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-1-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 105147508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).