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

C10H19N3OS — CID 63352034

IUPACN-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(C)C(C)c1nc(CSC)no1
InChIInChI=1S/C10H19N3OS/c1-5-11-8(3)7(2)10-12-9(6-15-4)13-14-10/h7-8,11H,5-6H2,1-4H3
InChIKeyQCNNGVUVCUMQLK-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.03
Rot. Bonds6

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

N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63352034) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63352034
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCCNC(C)C(C)c1nc(CSC)no1
InChIInChI=1S/C10H19N3OS/c1-5-11-8(3)7(2)10-12-9(6-15-4)13-14-10/h7-8,11H,5-6H2,1-4H3
InChIKeyQCNNGVUVCUMQLK-UHFFFAOYSA-N
XLogP2.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348667
3-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 66055344
N-ethyl-3-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 66066723
N-ethyl-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65093953
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347609
3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 63347742
N-ethyl-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65133728
N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine
CID 116809052
N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65137621
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347961
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540079
(1S)-3-methyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104880721

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63352034) is N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CCNC(C)C(C)c1nc(CSC)no1.
What is the InChIKey of N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is QCNNGVUVCUMQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-5-11-8(3)7(2)10-12-9(6-15-4)13-14-10/h7-8,11H,5-6H2,1-4H3.
What are the key properties of N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 229.35 g/mol, XLogP of 2.03, 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-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63352034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).