2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

C9H17N3O3S — CID 63065067

IUPAC2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C9H17N3O3S/c1-7(2)4-10-5-9-11-8(12-15-9)6-16(3,13)14/h7,10H,4-6H2,1-3H3
InChIKeyOXYIMILESNJSEJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.36
Rot. Bonds6

About 2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (PubChem CID 63065067) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
PubChem CID63065067
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC Name2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C9H17N3O3S/c1-7(2)4-10-5-9-11-8(12-15-9)6-16(3,13)14/h7,10H,4-6H2,1-3H3
InChIKeyOXYIMILESNJSEJ-UHFFFAOYSA-N
XLogP0.36
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79276390
N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 106814599
N-[2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]-2-methylpropan-1-amine
CID 62756016
2-methyl-N-[[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 55228442
3-methyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 62943721
2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 64670875
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524629
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352639
1-cyclopentyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylmethanamine
CID 71986907
N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791394
2-methyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62472533
1-(3-chlorophenyl)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropan-1-amine
CID 75497336

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine (CID 63065067) is 2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is CC(C)CNCc1nc(CS(C)(=O)=O)no1.
What is the InChIKey of 2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
The InChIKey is OXYIMILESNJSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-7(2)4-10-5-9-11-8(12-15-9)6-16(3,13)14/h7,10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 63065067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).