4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine

C11H17N3OS — CID 83201313

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine
SMILESCCNC1CSCC1c1nc(C2CC2)no1
InChIInChI=1S/C11H17N3OS/c1-2-12-9-6-16-5-8(9)11-13-10(14-15-11)7-3-4-7/h7-9,12H,2-6H2,1H3
InChIKeyNKRDIATZNUCFJT-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.76
Rot. Bonds4

About 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine (PubChem CID 83201313) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine
PubChem CID83201313
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine
SMILESCCNC1CSCC1c1nc(C2CC2)no1
InChIInChI=1S/C11H17N3OS/c1-2-12-9-6-16-5-8(9)11-13-10(14-15-11)7-3-4-7/h7-9,12H,2-6H2,1H3
InChIKeyNKRDIATZNUCFJT-UHFFFAOYSA-N
XLogP1.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine (CID 83201313) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine is CCNC1CSCC1c1nc(C2CC2)no1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine?
The InChIKey is NKRDIATZNUCFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-12-9-6-16-5-8(9)11-13-10(14-15-11)7-3-4-7/h7-9,12H,2-6H2,1H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine has a molecular weight of 239.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine is sourced from PubChem (CID 83201313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).