5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine

C8H16N4OS — CID 106961329

IUPAC5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCSCC(C)CNc1nnc(CN)o1
InChIInChI=1S/C8H16N4OS/c1-6(5-14-2)4-10-8-12-11-7(3-9)13-8/h6H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyMEIRCKZUMGDSST-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.94
Rot. Bonds6

About 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106961329) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106961329
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCSCC(C)CNc1nnc(CN)o1
InChIInChI=1S/C8H16N4OS/c1-6(5-14-2)4-10-8-12-11-7(3-9)13-8/h6H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyMEIRCKZUMGDSST-UHFFFAOYSA-N
XLogP0.94
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960518
N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106964866
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106971186
5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968329
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633
5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 127011526
5-(aminomethyl)-N-pentan-2-yl-1,3,4-oxadiazol-2-amine
CID 106966295
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106964958
5-(chloromethyl)-N-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-amine
CID 106958380
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
5-(1-aminoethyl)-N-(2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106960512
5-(aminomethyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 137340686

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine (CID 106961329) is 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine is CSCC(C)CNc1nnc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MEIRCKZUMGDSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-6(5-14-2)4-10-8-12-11-7(3-9)13-8/h6H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 216.31 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).