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

C12H23N3OS — CID 55201851

IUPACN-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(Cc1nc(CSC)no1)C(C)(C)C
InChIInChI=1S/C12H23N3OS/c1-6-13-9(12(2,3)4)7-11-14-10(8-17-5)15-16-11/h9,13H,6-8H2,1-5H3
InChIKeyAIZBMZVZLQVARD-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.50
Rot. Bonds6

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

N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 55201851) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID55201851
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(Cc1nc(CSC)no1)C(C)(C)C
InChIInChI=1S/C12H23N3OS/c1-6-13-9(12(2,3)4)7-11-14-10(8-17-5)15-16-11/h9,13H,6-8H2,1-5H3
InChIKeyAIZBMZVZLQVARD-UHFFFAOYSA-N
XLogP2.50
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3,3-dimethyl-1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352564
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 63347289
N-ethyl-3,3-dimethyl-1-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103476847
3,3-dimethyl-1-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65136985
1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethyl-3,3-dimethylbutan-2-amine
CID 103151068
N-ethyl-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 63352343
1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 63352426
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 63718564
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 65140997
1-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-2-amine
CID 65138207
1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62694731
3,3-dimethyl-N-propyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350459

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 55201851) is N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCNC(Cc1nc(CSC)no1)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is AIZBMZVZLQVARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-6-13-9(12(2,3)4)7-11-14-10(8-17-5)15-16-11/h9,13H,6-8H2,1-5H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 257.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 55201851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).