N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine

C16H23N5O3S — CID 167940569

IUPACN-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine
SMILESCCS(=O)(=O)CCc1noc(C2CCC(Nc3cnccn3)CC2)n1
InChIInChI=1S/C16H23N5O3S/c1-2-25(22,23)10-7-14-20-16(24-21-14)12-3-5-13(6-4-12)19-15-11-17-8-9-18-15/h8-9,11-13H,2-7,10H2,1H3,(H,18,19)
InChIKeyDJPFQVSPZODTGK-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.98
Rot. Bonds7

About N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine

N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine (PubChem CID 167940569) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine
PubChem CID167940569
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC NameN-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine
SMILESCCS(=O)(=O)CCc1noc(C2CCC(Nc3cnccn3)CC2)n1
InChIInChI=1S/C16H23N5O3S/c1-2-25(22,23)10-7-14-20-16(24-21-14)12-3-5-13(6-4-12)19-15-11-17-8-9-18-15/h8-9,11-13H,2-7,10H2,1H3,(H,18,19)
InChIKeyDJPFQVSPZODTGK-UHFFFAOYSA-N
XLogP1.98
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine with MolForge

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Related Compounds

N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619
4-N-pyrazin-2-ylcyclohexane-1,4-diamine
CID 56965635
2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol
CID 110013500
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
2-[[5-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-2-pyridinyl]oxy]ethanol
CID 110013550
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine;hydrochloride
CID 53433662
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 65129910
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(dimethylsulfamoyl)-N-methylethanamine
CID 136531431
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-propylpyrimidine-5-carboxamide
CID 122559370
N-methyl-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63351991
5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole
CID 154778922
N-[(3S)-oxan-3-yl]pyrazin-2-amine
CID 130628778

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine?
The IUPAC name of N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine (CID 167940569) is N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine.
What is the SMILES notation for N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine?
The canonical SMILES for N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine is CCS(=O)(=O)CCc1noc(C2CCC(Nc3cnccn3)CC2)n1.
What is the InChIKey of N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine?
The InChIKey is DJPFQVSPZODTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-2-25(22,23)10-7-14-20-16(24-21-14)12-3-5-13(6-4-12)19-15-11-17-8-9-18-15/h8-9,11-13H,2-7,10H2,1H3,(H,18,19).
What are the key properties of N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine?
N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine has a molecular weight of 365.46 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine is sourced from PubChem (CID 167940569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).