N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine

C14H25N3OS — CID 138998530

IUPACN-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
SMILESCCSCCNC1(c2noc(C(C)C)n2)CCCC1
InChIInChI=1S/C14H25N3OS/c1-4-19-10-9-15-14(7-5-6-8-14)13-16-12(11(2)3)18-17-13/h11,15H,4-10H2,1-3H3
InChIKeyFLRSDCGFZYZCAH-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.31
Rot. Bonds7

About N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine

N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine (PubChem CID 138998530) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
PubChem CID138998530
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
SMILESCCSCCNC1(c2noc(C(C)C)n2)CCCC1
InChIInChI=1S/C14H25N3OS/c1-4-19-10-9-15-14(7-5-6-8-14)13-16-12(11(2)3)18-17-13/h11,15H,4-10H2,1-3H3
InChIKeyFLRSDCGFZYZCAH-UHFFFAOYSA-N
XLogP3.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine (CID 138998530) is N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine is CCSCCNC1(c2noc(C(C)C)n2)CCCC1.
What is the InChIKey of N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
The InChIKey is FLRSDCGFZYZCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-19-10-9-15-14(7-5-6-8-14)13-16-12(11(2)3)18-17-13/h11,15H,4-10H2,1-3H3.
What are the key properties of N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine?
N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 138998530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).