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

C14H27N3OS — CID 65137621

IUPACN-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCNC(CC)C(C)c1nc(CSCC(C)C)no1
InChIInChI=1S/C14H27N3OS/c1-6-12(15-7-2)11(5)14-16-13(17-18-14)9-19-8-10(3)4/h10-12,15H,6-9H2,1-5H3
InChIKeyBYRDUGFDYFALTR-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.45
Rot. Bonds9

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

N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (PubChem CID 65137621) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
PubChem CID65137621
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCNC(CC)C(C)c1nc(CSCC(C)C)no1
InChIInChI=1S/C14H27N3OS/c1-6-12(15-7-2)11(5)14-16-13(17-18-14)9-19-8-10(3)4/h10-12,15H,6-9H2,1-5H3
InChIKeyBYRDUGFDYFALTR-UHFFFAOYSA-N
XLogP3.45
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The IUPAC name of N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine (CID 65137621) is N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine.
What is the SMILES notation for N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The canonical SMILES for N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is CCNC(CC)C(C)c1nc(CSCC(C)C)no1.
What is the InChIKey of N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The InChIKey is BYRDUGFDYFALTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-6-12(15-7-2)11(5)14-16-13(17-18-14)9-19-8-10(3)4/h10-12,15H,6-9H2,1-5H3.
What are the key properties of N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine?
N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine has a molecular weight of 285.46 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 65137621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).