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

C12H21N3OS — CID 71988470

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine
SMILESCCc1nc(CN(C)C2CCCC2SC)no1
InChIInChI=1S/C12H21N3OS/c1-4-12-13-11(14-16-12)8-15(2)9-6-5-7-10(9)17-3/h9-10H,4-8H2,1-3H3
InChIKeySLWOETLRZRXMBJ-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.35
Rot. Bonds5

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine (PubChem CID 71988470) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine
PubChem CID71988470
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine
SMILESCCc1nc(CN(C)C2CCCC2SC)no1
InChIInChI=1S/C12H21N3OS/c1-4-12-13-11(14-16-12)8-15(2)9-6-5-7-10(9)17-3/h9-10H,4-8H2,1-3H3
InChIKeySLWOETLRZRXMBJ-UHFFFAOYSA-N
XLogP2.35
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine (CID 71988470) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine is CCc1nc(CN(C)C2CCCC2SC)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is SLWOETLRZRXMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-12-13-11(14-16-12)8-15(2)9-6-5-7-10(9)17-3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 71988470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).