N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine

C13H22N4OS — CID 116809201

IUPACN-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
SMILESCCNC1CSCC1c1nc(N2CCCCC2)no1
InChIInChI=1S/C13H22N4OS/c1-2-14-11-9-19-8-10(11)12-15-13(16-18-12)17-6-4-3-5-7-17/h10-11,14H,2-9H2,1H3
InChIKeyZSBLLZDUQSHGMN-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.87
Rot. Bonds4

About N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine

N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine (PubChem CID 116809201) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
PubChem CID116809201
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
SMILESCCNC1CSCC1c1nc(N2CCCCC2)no1
InChIInChI=1S/C13H22N4OS/c1-2-14-11-9-19-8-10(11)12-15-13(16-18-12)17-6-4-3-5-7-17/h10-11,14H,2-9H2,1H3
InChIKeyZSBLLZDUQSHGMN-UHFFFAOYSA-N
XLogP1.87
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 116809129
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 116809369
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine
CID 83201313
4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine
CID 116807168
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83200984
N-ethyl-4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201081
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83201404
N-ethyl-4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200739
N-ethyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200652
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83201148
4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 116733365
N-methyl-4-(3-propyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83201061

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The IUPAC name of N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine (CID 116809201) is N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine.
What is the SMILES notation for N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The canonical SMILES for N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine is CCNC1CSCC1c1nc(N2CCCCC2)no1.
What is the InChIKey of N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The InChIKey is ZSBLLZDUQSHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-2-14-11-9-19-8-10(11)12-15-13(16-18-12)17-6-4-3-5-7-17/h10-11,14H,2-9H2,1H3.
What are the key properties of N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine has a molecular weight of 282.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)thiolan-3-amine is sourced from PubChem (CID 116809201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).