2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

C10H19N3O3S — CID 65261573

IUPAC2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C10H19N3O3S/c1-9(2,10(3,4)11)8-12-7(13-16-8)6-17(5,14)15/h6,11H2,1-5H3
InChIKeySINZTUQLBGEPQZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.63
Rot. Bonds4

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

2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 65261573) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID65261573
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(C)(N)C(C)(C)c1nc(CS(C)(=O)=O)no1
InChIInChI=1S/C10H19N3O3S/c1-9(2,10(3,4)11)8-12-7(13-16-8)6-17(5,14)15/h6,11H2,1-5H3
InChIKeySINZTUQLBGEPQZ-UHFFFAOYSA-N
XLogP0.63
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 64670875
2-methyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 62472533
2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79953399
2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116632608
3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352639
2,3-dimethyl-3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103146017
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 65261429
5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 62472715
(2R)-2-amino-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 94451312
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
2,3-dimethyl-3-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65261860
1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 62472893

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 65261573) is 2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC(C)(N)C(C)(C)c1nc(CS(C)(=O)=O)no1.
What is the InChIKey of 2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is SINZTUQLBGEPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-9(2,10(3,4)11)8-12-7(13-16-8)6-17(5,14)15/h6,11H2,1-5H3.
What are the key properties of 2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 261.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 65261573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).