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

C9H16N4O3S2 — CID 106962731

IUPACN-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(N2CCSCC2S(C)(=O)=O)o1
InChIInChI=1S/C9H16N4O3S2/c1-10-5-7-11-12-9(16-7)13-3-4-17-6-8(13)18(2,14)15/h8,10H,3-6H2,1-2H3
InChIKeyIURRMPYUOUTLKF-UHFFFAOYSA-N
MW292.39 g/mol
LogP-0.29
Rot. Bonds4

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

N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 106962731) has the molecular formula C9H16N4O3S2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID106962731
Molecular FormulaC9H16N4O3S2
Molecular Weight292.39 g/mol
Exact Mass292.07
IUPAC NameN-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(N2CCSCC2S(C)(=O)=O)o1
InChIInChI=1S/C9H16N4O3S2/c1-10-5-7-11-12-9(16-7)13-3-4-17-6-8(13)18(2,14)15/h8,10H,3-6H2,1-2H3
InChIKeyIURRMPYUOUTLKF-UHFFFAOYSA-N
XLogP-0.29
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 106962731) is N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is CNCc1nnc(N2CCSCC2S(C)(=O)=O)o1.
What is the InChIKey of N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is IURRMPYUOUTLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S2/c1-10-5-7-11-12-9(16-7)13-3-4-17-6-8(13)18(2,14)15/h8,10H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 292.39 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 106962731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).