N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine

C9H17N5O3S — CID 106960971

IUPACN-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(N2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C9H17N5O3S/c1-10-7-8-11-12-9(17-8)13-3-5-14(6-4-13)18(2,15)16/h10H,3-7H2,1-2H3
InChIKeyHMNHBAHVOSNXGZ-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.13
Rot. Bonds4

About N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine

N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 106960971) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID106960971
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC NameN-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(N2CCN(S(C)(=O)=O)CC2)o1
InChIInChI=1S/C9H17N5O3S/c1-10-7-8-11-12-9(17-8)13-3-5-14(6-4-13)18(2,15)16/h10H,3-7H2,1-2H3
InChIKeyHMNHBAHVOSNXGZ-UHFFFAOYSA-N
XLogP-1.13
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 106960971) is N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine is CNCc1nnc(N2CCN(S(C)(=O)=O)CC2)o1.
What is the InChIKey of N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is HMNHBAHVOSNXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-10-7-8-11-12-9(17-8)13-3-5-14(6-4-13)18(2,15)16/h10H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 275.33 g/mol, XLogP of -1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-methylsulfonylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 106960971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).