2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

C13H23N3OS — CID 106483458

IUPAC2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCC(C)SCc1noc(CC2CCCCC2N)n1
InChIInChI=1S/C13H23N3OS/c1-9(2)18-8-12-15-13(17-16-12)7-10-5-3-4-6-11(10)14/h9-11H,3-8,14H2,1-2H3
InChIKeyGKEJPFAZMCAHLA-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.77
Rot. Bonds5

About 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine

2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 106483458) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID106483458
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCC(C)SCc1noc(CC2CCCCC2N)n1
InChIInChI=1S/C13H23N3OS/c1-9(2)18-8-12-15-13(17-16-12)7-10-5-3-4-6-11(10)14/h9-11H,3-8,14H2,1-2H3
InChIKeyGKEJPFAZMCAHLA-UHFFFAOYSA-N
XLogP2.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483360
2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483455
2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 65134199
2-[[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483320
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483639
1,1-difluoro-3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65133379
2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483607
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483412
5-(2-piperidin-4-ylethyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134669
3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65134666
2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 65134331
5-(3-chloropropyl)-3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 65134539

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 106483458) is 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CC(C)SCc1noc(CC2CCCCC2N)n1.
What is the InChIKey of 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is GKEJPFAZMCAHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(2)18-8-12-15-13(17-16-12)7-10-5-3-4-6-11(10)14/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).