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

C11H21N3O3S — CID 116632608

IUPAC2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(c1noc(C(C)(C)C(C)(C)N)n1)S(C)(=O)=O
InChIInChI=1S/C11H21N3O3S/c1-7(18(6,15)16)8-13-9(17-14-8)10(2,3)11(4,5)12/h7H,12H2,1-6H3
InChIKeyLVNMCZKLGIPMJI-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.19
Rot. Bonds4

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

2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 116632608) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID116632608
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(c1noc(C(C)(C)C(C)(C)N)n1)S(C)(=O)=O
InChIInChI=1S/C11H21N3O3S/c1-7(18(6,15)16)8-13-9(17-14-8)10(2,3)11(4,5)12/h7H,12H2,1-6H3
InChIKeyLVNMCZKLGIPMJI-UHFFFAOYSA-N
XLogP1.19
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65261573
[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116632837
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 131086186
(1S)-3-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904314
(1R)-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565561
4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116632620
N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116633598
5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811747
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104521857
N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116633564
2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157921
2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112735076

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 116632608) is 2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC(c1noc(C(C)(C)C(C)(C)N)n1)S(C)(=O)=O.
What is the InChIKey of 2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is LVNMCZKLGIPMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-7(18(6,15)16)8-13-9(17-14-8)10(2,3)11(4,5)12/h7H,12H2,1-6H3.
What are the key properties of 2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
2,3-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 1.19, 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-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 116632608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).