3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine

C11H19N3OS — CID 65140538

IUPAC3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(CSC2CCCC2)no1
InChIInChI=1S/C11H19N3OS/c1-2-7-12-11-13-10(14-15-11)8-16-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyYJCNOJPJTNOUIG-UHFFFAOYSA-N
MW241.36 g/mol
LogP3.07
Rot. Bonds6

About 3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine

3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 65140538) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
PubChem CID65140538
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
SMILESCCCNc1nc(CSC2CCCC2)no1
InChIInChI=1S/C11H19N3OS/c1-2-7-12-11-13-10(14-15-11)8-16-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyYJCNOJPJTNOUIG-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 65140557
N-[1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 65140152
3-ethyl-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594478
2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65140957
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83192283
2-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79798500
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 65261429
1-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 65140758
3-(phenylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 65143451
[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65141214
2-(cyclopentylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 65140283
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222042

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine (CID 65140538) is 3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine is CCCNc1nc(CSC2CCCC2)no1.
What is the InChIKey of 3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is YJCNOJPJTNOUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-2-7-12-11-13-10(14-15-11)8-16-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,13,14).
What are the key properties of 3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine?
3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfanylmethyl)-N-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 65140538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).