3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

C13H21N3OS — CID 104911863

IUPAC3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESC1CCC(SCc2noc([C@H]3CCCNC3)n2)C1
InChIInChI=1S/C13H21N3OS/c1-2-6-11(5-1)18-9-12-15-13(17-16-12)10-4-3-7-14-8-10/h10-11,14H,1-9H2/t10-/m0/s1
InChIKeyICUPONAFDZWIRB-JTQLQIEISA-N
MW267.40 g/mol
LogP2.71
Rot. Bonds4

About 3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole

3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104911863) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104911863
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESC1CCC(SCc2noc([C@H]3CCCNC3)n2)C1
InChIInChI=1S/C13H21N3OS/c1-2-6-11(5-1)18-9-12-15-13(17-16-12)10-4-3-7-14-8-10/h10-11,14H,1-9H2/t10-/m0/s1
InChIKeyICUPONAFDZWIRB-JTQLQIEISA-N
XLogP2.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole
CID 79316568
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
3-(cyclopentylsulfanylmethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048201
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 28526049
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104911863) is 3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is C1CCC(SCc2noc([C@H]3CCCNC3)n2)C1.
What is the InChIKey of 3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ICUPONAFDZWIRB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-6-11(5-1)18-9-12-15-13(17-16-12)10-4-3-7-14-8-10/h10-11,14H,1-9H2/t10-/m0/s1.
What are the key properties of 3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 267.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104911863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).