[3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C14H27ClN6O4S — CID 120751176

IUPAC[3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCC1CN(S(=O)(=O)N2CCN(Cc3noc(CN)n3)CC2)CC(C)O1.Cl
InChIInChI=1S/C14H26N6O4S.ClH/c1-11-8-20(9-12(2)23-11)25(21,22)19-5-3-18(4-6-19)10-13-16-14(7-15)24-17-13;/h11-12H,3-10,15H2,1-2H3;1H
InChIKeyLAQFQSZLOULMSG-UHFFFAOYSA-N
MW410.93 g/mol
LogP-0.58
Rot. Bonds5

About [3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

[3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 120751176) has the molecular formula C14H27ClN6O4S and a molecular weight of 410.93 g/mol. Its IUPAC name is [3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID120751176
Molecular FormulaC14H27ClN6O4S
Molecular Weight410.93 g/mol
Exact Mass410.15
IUPAC Name[3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCC1CN(S(=O)(=O)N2CCN(Cc3noc(CN)n3)CC2)CC(C)O1.Cl
InChIInChI=1S/C14H26N6O4S.ClH/c1-11-8-20(9-12(2)23-11)25(21,22)19-5-3-18(4-6-19)10-13-16-14(7-15)24-17-13;/h11-12H,3-10,15H2,1-2H3;1H
InChIKeyLAQFQSZLOULMSG-UHFFFAOYSA-N
XLogP-0.58
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 120751176) is [3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is CC1CN(S(=O)(=O)N2CCN(Cc3noc(CN)n3)CC2)CC(C)O1.Cl.
What is the InChIKey of [3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is LAQFQSZLOULMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O4S.ClH/c1-11-8-20(9-12(2)23-11)25(21,22)19-5-3-18(4-6-19)10-13-16-14(7-15)24-17-13;/h11-12H,3-10,15H2,1-2H3;1H.
What are the key properties of [3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
[3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 410.93 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 120751176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).