[5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

C9H15N3O2S — CID 102630087

IUPAC[5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCCC2CCCO2)o1
InChIInChI=1S/C9H15N3O2S/c10-6-8-11-12-9(14-8)15-5-3-7-2-1-4-13-7/h7H,1-6,10H2
InChIKeyGLFQLCAJNUILQQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.19
Rot. Bonds5

About [5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

[5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630087) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is [5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630087
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name[5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(SCCC2CCCO2)o1
InChIInChI=1S/C9H15N3O2S/c10-6-8-11-12-9(14-8)15-5-3-7-2-1-4-13-7/h7H,1-6,10H2
InChIKeyGLFQLCAJNUILQQ-UHFFFAOYSA-N
XLogP1.19
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
5-(aminomethyl)-N-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106969861
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 47095095
6-methyl-2-[2-(oxolan-2-yl)ethylsulfanyl]pyrimidin-4-amine
CID 115331111
3-[2-(oxolan-2-yl)ethylsulfanyl]propan-1-amine
CID 66218560
[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630421
(5-cycloheptylsulfanyl-1,3,4-oxadiazol-2-yl)methanamine
CID 102629853
[2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
CID 65173175
1-[2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]imidazolidin-2-one
CID 102630515
N-[[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 65159274
[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630364
4-chloro-2-[2-(oxolan-2-yl)ethylsulfanyl]aniline
CID 79528225

Frequently Asked Questions

What is the IUPAC name of [5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (CID 102630087) is [5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(SCCC2CCCO2)o1.
What is the InChIKey of [5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is GLFQLCAJNUILQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-6-8-11-12-9(14-8)15-5-3-7-2-1-4-13-7/h7H,1-6,10H2.
What are the key properties of [5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 229.30 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(oxolan-2-yl)ethylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).