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

C12H21N3O3S — CID 55202619

IUPACN-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCNC1CCC(c2nc(CS(C)(=O)=O)no2)CC1
InChIInChI=1S/C12H21N3O3S/c1-3-13-10-6-4-9(5-7-10)12-14-11(15-18-12)8-19(2,16)17/h9-10,13H,3-8H2,1-2H3
InChIKeyMCUVSZYZVOIYNU-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.25
Rot. Bonds5

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

N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 55202619) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID55202619
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCNC1CCC(c2nc(CS(C)(=O)=O)no2)CC1
InChIInChI=1S/C12H21N3O3S/c1-3-13-10-6-4-9(5-7-10)12-14-11(15-18-12)8-19(2,16)17/h9-10,13H,3-8H2,1-2H3
InChIKeyMCUVSZYZVOIYNU-UHFFFAOYSA-N
XLogP1.25
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350837
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 65129910
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 116809369
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63352505
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349124
N-methyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 63351977
N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347579
3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol
CID 110013337
N-methyl-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63351991
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66238890
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylcyclohexan-1-amine
CID 103988179

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 55202619) is N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CCNC1CCC(c2nc(CS(C)(=O)=O)no2)CC1.
What is the InChIKey of N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is MCUVSZYZVOIYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-13-10-6-4-9(5-7-10)12-14-11(15-18-12)8-19(2,16)17/h9-10,13H,3-8H2,1-2H3.
What are the key properties of N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 55202619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).