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

C9H16N4O3S — CID 106965922

IUPACN-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(N2CCS(=O)(=O)CC2C)o1
InChIInChI=1S/C9H16N4O3S/c1-7-6-17(14,15)4-3-13(7)9-12-11-8(16-9)5-10-2/h7,10H,3-6H2,1-2H3
InChIKeyNOPJURFBJHSTJV-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.59
Rot. Bonds3

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

N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 106965922) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID106965922
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC NameN-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCNCc1nnc(N2CCS(=O)(=O)CC2C)o1
InChIInChI=1S/C9H16N4O3S/c1-7-6-17(14,15)4-3-13(7)9-12-11-8(16-9)5-10-2/h7,10H,3-6H2,1-2H3
InChIKeyNOPJURFBJHSTJV-UHFFFAOYSA-N
XLogP-0.59
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.59
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-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 106965922) is N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is CNCc1nnc(N2CCS(=O)(=O)CC2C)o1.
What is the InChIKey of N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is NOPJURFBJHSTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-7-6-17(14,15)4-3-13(7)9-12-11-8(16-9)5-10-2/h7,10H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine?
N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 260.32 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 106965922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).