cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

C14H25N3OS — CID 65138066

IUPACcyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)CSCc1noc(C(N)C2CCCCC2)n1
InChIInChI=1S/C14H25N3OS/c1-10(2)8-19-9-12-16-14(18-17-12)13(15)11-6-4-3-5-7-11/h10-11,13H,3-9,15H2,1-2H3
InChIKeyMISVGVKYHPTRJA-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.54
Rot. Bonds6

About cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine

cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 65138066) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID65138066
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Namecyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)CSCc1noc(C(N)C2CCCCC2)n1
InChIInChI=1S/C14H25N3OS/c1-10(2)8-19-9-12-16-14(18-17-12)13(15)11-6-4-3-5-7-11/h10-11,13H,3-9,15H2,1-2H3
InChIKeyMISVGVKYHPTRJA-UHFFFAOYSA-N
XLogP3.54
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 65138066) is cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is CC(C)CSCc1noc(C(N)C2CCCCC2)n1.
What is the InChIKey of cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is MISVGVKYHPTRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10(2)8-19-9-12-16-14(18-17-12)13(15)11-6-4-3-5-7-11/h10-11,13H,3-9,15H2,1-2H3.
What are the key properties of cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine?
cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 283.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 65138066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).