3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine

C8H13N3O2S — CID 64634872

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine
SMILESCc1nnc(SC2COCCC2N)o1
InChIInChI=1S/C8H13N3O2S/c1-5-10-11-8(13-5)14-7-4-12-3-2-6(7)9/h6-7H,2-4,9H2,1H3
InChIKeyFXJHOENUSUJPPW-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.59
Rot. Bonds2

About 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine (PubChem CID 64634872) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine
PubChem CID64634872
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine
SMILESCc1nnc(SC2COCCC2N)o1
InChIInChI=1S/C8H13N3O2S/c1-5-10-11-8(13-5)14-7-4-12-3-2-6(7)9/h6-7H,2-4,9H2,1H3
InChIKeyFXJHOENUSUJPPW-UHFFFAOYSA-N
XLogP0.59
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine (CID 64634872) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine is Cc1nnc(SC2COCCC2N)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine?
The InChIKey is FXJHOENUSUJPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5-10-11-8(13-5)14-7-4-12-3-2-6(7)9/h6-7H,2-4,9H2,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine has a molecular weight of 215.28 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]oxan-4-amine is sourced from PubChem (CID 64634872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).