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

C10H19N3O3S — CID 116633564

IUPACN-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(Cc1nc(C(C)S(C)(=O)=O)no1)NC
InChIInChI=1S/C10H19N3O3S/c1-5-8(11-3)6-9-12-10(13-16-9)7(2)17(4,14)15/h7-8,11H,5-6H2,1-4H3
InChIKeyOHLSWBRCUYHQJL-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.72
Rot. Bonds6

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

N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 116633564) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID116633564
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC NameN-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCC(Cc1nc(C(C)S(C)(=O)=O)no1)NC
InChIInChI=1S/C10H19N3O3S/c1-5-8(11-3)6-9-12-10(13-16-9)7(2)17(4,14)15/h7-8,11H,5-6H2,1-4H3
InChIKeyOHLSWBRCUYHQJL-UHFFFAOYSA-N
XLogP0.72
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 63716700
1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 79604897
[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116632837
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733518
2-methoxy-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103157921
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-3-methoxy-N-methylpropan-2-amine
CID 63717261
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347724
N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116633598
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 116632871
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436675
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733375
1-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 114331208

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 116633564) is N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCC(Cc1nc(C(C)S(C)(=O)=O)no1)NC.
What is the InChIKey of N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is OHLSWBRCUYHQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-5-8(11-3)6-9-12-10(13-16-9)7(2)17(4,14)15/h7-8,11H,5-6H2,1-4H3.
What are the key properties of N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 261.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 116633564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).