2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C13H23N3OS — CID 65140957

IUPAC2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(CSC2CCCC2)no1
InChIInChI=1S/C13H23N3OS/c1-3-8-13(2,14)12-15-11(16-17-12)9-18-10-6-4-5-7-10/h10H,3-9,14H2,1-2H3
InChIKeyNLZGSKOWJAXFID-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.22
Rot. Bonds6

About 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 65140957) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID65140957
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCCC(C)(N)c1nc(CSC2CCCC2)no1
InChIInChI=1S/C13H23N3OS/c1-3-8-13(2,14)12-15-11(16-17-12)9-18-10-6-4-5-7-10/h10H,3-9,14H2,1-2H3
InChIKeyNLZGSKOWJAXFID-UHFFFAOYSA-N
XLogP3.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 65140957) is 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCCC(C)(N)c1nc(CSC2CCCC2)no1.
What is the InChIKey of 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is NLZGSKOWJAXFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-8-13(2,14)12-15-11(16-17-12)9-18-10-6-4-5-7-10/h10H,3-9,14H2,1-2H3.
What are the key properties of 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 65140957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).