N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine

C8H16N4O3S — CID 106963034

IUPACN-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(N(C)CCS(C)(=O)=O)o1
InChIInChI=1S/C8H16N4O3S/c1-9-6-7-10-11-8(15-7)12(2)4-5-16(3,13)14/h9H,4-6H2,1-3H3
InChIKeyOHKXZLDCLULFKK-UHFFFAOYSA-N
MW248.31 g/mol
LogP-0.73
Rot. Bonds6

About N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine

N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963034) has the molecular formula C8H16N4O3S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963034
Molecular FormulaC8H16N4O3S
Molecular Weight248.31 g/mol
Exact Mass248.09
IUPAC NameN-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(N(C)CCS(C)(=O)=O)o1
InChIInChI=1S/C8H16N4O3S/c1-9-6-7-10-11-8(15-7)12(2)4-5-16(3,13)14/h9H,4-6H2,1-3H3
InChIKeyOHKXZLDCLULFKK-UHFFFAOYSA-N
XLogP-0.73
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
CID 106967463
N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)aniline
CID 79849570
N-butyl-5-(ethylaminomethyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106966149
N-[(2-methoxyphenyl)methyl]-N-methyl-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970850
N-methyl-5-(methylaminomethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 137341409
N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
CID 79859441
N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 80635616
5-[(cyclopropylamino)methyl]-N-methyl-N-propyl-1,3,4-oxadiazol-2-amine
CID 106968742
N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 83189165
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine
CID 107557165
N-methyl-5-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
CID 106962442
3-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
CID 106967454

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine (CID 106963034) is N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(N(C)CCS(C)(=O)=O)o1.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OHKXZLDCLULFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3S/c1-9-6-7-10-11-8(15-7)12(2)4-5-16(3,13)14/h9H,4-6H2,1-3H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine?
N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 248.31 g/mol, XLogP of -0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).