4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine

C12H21N3OS — CID 65129910

IUPAC4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCCSCc1noc(C2CCC(NC)CC2)n1
InChIInChI=1S/C12H21N3OS/c1-3-17-8-11-14-12(16-15-11)9-4-6-10(13-2)7-5-9/h9-10,13H,3-8H2,1-2H3
InChIKeyCHBZIEZSQBNVKA-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.57
Rot. Bonds5

About 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine

4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine (PubChem CID 65129910) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
PubChem CID65129910
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
SMILESCCSCc1noc(C2CCC(NC)CC2)n1
InChIInChI=1S/C12H21N3OS/c1-3-17-8-11-14-12(16-15-11)9-4-6-10(13-2)7-5-9/h9-10,13H,3-8H2,1-2H3
InChIKeyCHBZIEZSQBNVKA-UHFFFAOYSA-N
XLogP2.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63351991
N-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65137412
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65129781
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65131053
3-(ethylsulfanylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 65131299
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 65129428
N-methyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202433
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552070
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanamine
CID 61495568
4-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 113391752
ethyl 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetate
CID 60564844
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine
CID 63719470

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine (CID 65129910) is 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine is CCSCc1noc(C2CCC(NC)CC2)n1.
What is the InChIKey of 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
The InChIKey is CHBZIEZSQBNVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-17-8-11-14-12(16-15-11)9-4-6-10(13-2)7-5-9/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine?
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 65129910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).