1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C10H18N4OS — CID 106965066

IUPAC1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(N2CCSC(C)C2C)o1
InChIInChI=1S/C10H18N4OS/c1-7-8(2)16-5-4-14(7)10-13-12-9(15-10)6-11-3/h7-8,11H,4-6H2,1-3H3
InChIKeyVMJXPDUTTUUFFQ-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.12
Rot. Bonds3

About 1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 106965066) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID106965066
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(N2CCSC(C)C2C)o1
InChIInChI=1S/C10H18N4OS/c1-7-8(2)16-5-4-14(7)10-13-12-9(15-10)6-11-3/h7-8,11H,4-6H2,1-3H3
InChIKeyVMJXPDUTTUUFFQ-UHFFFAOYSA-N
XLogP1.12
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
CID 106958626
2-(1-chloroethyl)-5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazole
CID 106958625
N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106962731
1-[5-(2,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106965550
1-[5-(3,4-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962753
N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106965922
1-[5-(3-ethylmorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106969411
N-methyl-1-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 106959889
N-methyl-1-[5-(4-propan-2-ylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106967346
1-[5-(4-tert-butylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962132
1-[5-(4-ethylazepan-1-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 106962399
7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106962669

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 106965066) is 1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(N2CCSC(C)C2C)o1.
What is the InChIKey of 1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is VMJXPDUTTUUFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7-8(2)16-5-4-14(7)10-13-12-9(15-10)6-11-3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 242.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dimethylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106965066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).