3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine

C9H17N3OS — CID 65141760

IUPAC3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(CSC(C)CC)no1
InChIInChI=1S/C9H17N3OS/c1-4-7(3)14-6-8-11-9(10-5-2)13-12-8/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyMSRYCXFZCFLFKY-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.53
Rot. Bonds6

About 3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine

3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine (PubChem CID 65141760) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine
PubChem CID65141760
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(CSC(C)CC)no1
InChIInChI=1S/C9H17N3OS/c1-4-7(3)14-6-8-11-9(10-5-2)13-12-8/h7H,4-6H2,1-3H3,(H,10,11,12)
InChIKeyMSRYCXFZCFLFKY-UHFFFAOYSA-N
XLogP2.53
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 65141201
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 65137477
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 65140997
2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65141616
N-tert-butyl-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-amine
CID 65133653
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65141559
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 65141155
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-methylpropan-2-amine
CID 65141052
4-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65141558
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65141561
6-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65137052
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65137376

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine (CID 65141760) is 3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine is CCNc1nc(CSC(C)CC)no1.
What is the InChIKey of 3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine?
The InChIKey is MSRYCXFZCFLFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-4-7(3)14-6-8-11-9(10-5-2)13-12-8/h7H,4-6H2,1-3H3,(H,10,11,12).
What are the key properties of 3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine?
3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine has a molecular weight of 215.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylsulfanylmethyl)-N-ethyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 65141760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).