2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine

C15H25N3OS — CID 65144329

IUPAC2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1nc(CSC2CCCCC2)no1
InChIInChI=1S/C15H25N3OS/c1-16-13-9-5-8-12(13)15-17-14(18-19-15)10-20-11-6-3-2-4-7-11/h11-13,16H,2-10H2,1H3
InChIKeyCEHMUYUCOPSFIE-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.49
Rot. Bonds5

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

2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine (PubChem CID 65144329) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
PubChem CID65144329
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1nc(CSC2CCCCC2)no1
InChIInChI=1S/C15H25N3OS/c1-16-13-9-5-8-12(13)15-17-14(18-19-15)10-20-11-6-3-2-4-7-11/h11-13,16H,2-10H2,1H3
InChIKeyCEHMUYUCOPSFIE-UHFFFAOYSA-N
XLogP3.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65134418
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylcyclopentan-1-amine
CID 63348240
N-methyl-2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 63352344
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 79085090
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63892415
N-methyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 63351977
N-methyl-2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 55203203
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83200984
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63347737
N-methyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63347343
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83192283
N-ethyl-2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65130270

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine (CID 65144329) is 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine is CNC1CCCC1c1nc(CSC2CCCCC2)no1.
What is the InChIKey of 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
The InChIKey is CEHMUYUCOPSFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-16-13-9-5-8-12(13)15-17-14(18-19-15)10-20-11-6-3-2-4-7-11/h11-13,16H,2-10H2,1H3.
What are the key properties of 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine?
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 65144329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).