N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine

C10H17N3O2S — CID 50949759

IUPACN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine
SMILESCOCCc1noc(CNC2CCSC2)n1
InChIInChI=1S/C10H17N3O2S/c1-14-4-2-9-12-10(15-13-9)6-11-8-3-5-16-7-8/h8,11H,2-7H2,1H3
InChIKeyGJDXZLWOQKSEQM-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.85
Rot. Bonds6

About N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine

N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine (PubChem CID 50949759) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine
PubChem CID50949759
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine
SMILESCOCCc1noc(CNC2CCSC2)n1
InChIInChI=1S/C10H17N3O2S/c1-14-4-2-9-12-10(15-13-9)6-11-8-3-5-16-7-8/h8,11H,2-7H2,1H3
InChIKeyGJDXZLWOQKSEQM-UHFFFAOYSA-N
XLogP0.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine?
The IUPAC name of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine (CID 50949759) is N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine?
The canonical SMILES for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine is COCCc1noc(CNC2CCSC2)n1.
What is the InChIKey of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine?
The InChIKey is GJDXZLWOQKSEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-14-4-2-9-12-10(15-13-9)6-11-8-3-5-16-7-8/h8,11H,2-7H2,1H3.
What are the key properties of N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine?
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine has a molecular weight of 243.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine is sourced from PubChem (CID 50949759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).