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

C8H15N3O3S — CID 64670875

IUPAC2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(C)(N)Cc1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C8H15N3O3S/c1-8(2,9)4-7-10-6(11-14-7)5-15(3,12)13/h4-5,9H2,1-3H3
InChIKeyWGRRRQUAYCUPDK-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.11
Rot. Bonds4

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

2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 64670875) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID64670875
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(C)(N)Cc1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C8H15N3O3S/c1-8(2,9)4-7-10-6(11-14-7)5-15(3,12)13/h4-5,9H2,1-3H3
InChIKeyWGRRRQUAYCUPDK-UHFFFAOYSA-N
XLogP-0.11
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62472533
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64671674
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine
CID 64671837
2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65261573
1-methoxy-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63344520
2-methyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 63065067
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524629
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 55137085
3-(methylsulfonylmethyl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62475251
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64670656
N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79276390
3-methyl-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 131114260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 64670875) is 2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(C)(N)Cc1nc(CS(C)(=O)=O)no1.
What is the InChIKey of 2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is WGRRRQUAYCUPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-8(2,9)4-7-10-6(11-14-7)5-15(3,12)13/h4-5,9H2,1-3H3.
What are the key properties of 2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 233.29 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 64670875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).