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

C12H21N3O3S — CID 106483639

IUPAC2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCC(c1noc(CC2CCCCC2N)n1)S(C)(=O)=O
InChIInChI=1S/C12H21N3O3S/c1-8(19(2,16)17)12-14-11(18-15-12)7-9-5-3-4-6-10(9)13/h8-10H,3-7,13H2,1-2H3
InChIKeyPHVPEQJEUCFNJQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.24
Rot. Bonds4

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

2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 106483639) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID106483639
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCC(c1noc(CC2CCCCC2N)n1)S(C)(=O)=O
InChIInChI=1S/C12H21N3O3S/c1-8(19(2,16)17)12-14-11(18-15-12)7-9-5-3-4-6-10(9)13/h8-10H,3-7,13H2,1-2H3
InChIKeyPHVPEQJEUCFNJQ-UHFFFAOYSA-N
XLogP1.24
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 106483639) is 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CC(c1noc(CC2CCCCC2N)n1)S(C)(=O)=O.
What is the InChIKey of 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is PHVPEQJEUCFNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8(19(2,16)17)12-14-11(18-15-12)7-9-5-3-4-6-10(9)13/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 287.39 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).