3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine

C14H27N3OS — CID 65138099

IUPAC3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1nc(CSC(C)(C)C)no1)C(C)C
InChIInChI=1S/C14H27N3OS/c1-9(2)12(10(3)15-7)13-16-11(17-18-13)8-19-14(4,5)6/h9-10,12,15H,8H2,1-7H3
InChIKeyWKJBXBWRAIBNDE-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.45
Rot. Bonds6

About 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine

3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (PubChem CID 65138099) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
PubChem CID65138099
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
SMILESCNC(C)C(c1nc(CSC(C)(C)C)no1)C(C)C
InChIInChI=1S/C14H27N3OS/c1-9(2)12(10(3)15-7)13-16-11(17-18-13)8-19-14(4,5)6/h9-10,12,15H,8H2,1-7H3
InChIKeyWKJBXBWRAIBNDE-UHFFFAOYSA-N
XLogP3.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 63892419
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 65133449
2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 65138258
6-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65285003
N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347217
N,4-dimethyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116633598
(1S)-1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144978
N,4-dimethyl-3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63351247
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-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 107924605
[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 65137668

Frequently Asked Questions

What is the IUPAC name of 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The IUPAC name of 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine (CID 65138099) is 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is CNC(C)C(c1nc(CSC(C)(C)C)no1)C(C)C.
What is the InChIKey of 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
The InChIKey is WKJBXBWRAIBNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-9(2)12(10(3)15-7)13-16-11(17-18-13)8-19-14(4,5)6/h9-10,12,15H,8H2,1-7H3.
What are the key properties of 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine?
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine has a molecular weight of 285.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 65138099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).