[3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C9H17ClN4OS — CID 120751752

IUPAC[3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCC1CN(Cc2noc(CN)n2)CCS1.Cl
InChIInChI=1S/C9H16N4OS.ClH/c1-7-5-13(2-3-15-7)6-8-11-9(4-10)14-12-8;/h7H,2-6,10H2,1H3;1H
InChIKeyXLQJHBGPZOVXBN-UHFFFAOYSA-N
MW264.78 g/mol
LogP0.89
Rot. Bonds3

About [3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 120751752) has the molecular formula C9H17ClN4OS and a molecular weight of 264.78 g/mol. Its IUPAC name is [3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID120751752
Molecular FormulaC9H17ClN4OS
Molecular Weight264.78 g/mol
Exact Mass264.08
IUPAC Name[3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCC1CN(Cc2noc(CN)n2)CCS1.Cl
InChIInChI=1S/C9H16N4OS.ClH/c1-7-5-13(2-3-15-7)6-8-11-9(4-10)14-12-8;/h7H,2-6,10H2,1H3;1H
InChIKeyXLQJHBGPZOVXBN-UHFFFAOYSA-N
XLogP0.89
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750400
[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752368
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-dimethylpiperidin-3-amine;dihydrochloride
CID 120752789
[3-[[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752753
[3-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751873
[3-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120752271
[3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751176
[3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751780
[3-[[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752782
[3-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752741
[3-[(2,2-dimethylmorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751207
1-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]ethanol
CID 114218079

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 120751752) is [3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is CC1CN(Cc2noc(CN)n2)CCS1.Cl.
What is the InChIKey of [3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is XLQJHBGPZOVXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS.ClH/c1-7-5-13(2-3-15-7)6-8-11-9(4-10)14-12-8;/h7H,2-6,10H2,1H3;1H.
What are the key properties of [3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 264.78 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylthiomorpholin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 120751752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).