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

C12H23N3O3S — CID 116633598

IUPACN,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCNC(C)C(c1nc(C(C)S(C)(=O)=O)no1)C(C)C
InChIInChI=1S/C12H23N3O3S/c1-7(2)10(8(3)13-5)12-14-11(15-18-12)9(4)19(6,16)17/h7-10,13H,1-6H3
InChIKeyVSCFTPLYOWMWFW-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.52
Rot. Bonds6

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

N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 116633598) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID116633598
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCNC(C)C(c1nc(C(C)S(C)(=O)=O)no1)C(C)C
InChIInChI=1S/C12H23N3O3S/c1-7(2)10(8(3)13-5)12-14-11(15-18-12)9(4)19(6,16)17/h7-10,13H,1-6H3
InChIKeyVSCFTPLYOWMWFW-UHFFFAOYSA-N
XLogP1.52
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733099
3-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733157
3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 63892419
(1S)-3-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904314
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 65138099
(1R)-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565561
N-methyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116633564
1-[5-(1-methylsulfonylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104521857
4-methyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63350508
4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 116632620
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 107924605
[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116632837

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 116633598) is N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CNC(C)C(c1nc(C(C)S(C)(=O)=O)no1)C(C)C.
What is the InChIKey of N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is VSCFTPLYOWMWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-7(2)10(8(3)13-5)12-14-11(15-18-12)9(4)19(6,16)17/h7-10,13H,1-6H3.
What are the key properties of N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 289.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 116633598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).