[1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine

C10H17N3OS — CID 115450928

IUPAC[1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
SMILESCC(C)SCc1noc(C2(CN)CC2)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)15-5-8-12-9(14-13-8)10(6-11)3-4-10/h7H,3-6,11H2,1-2H3
InChIKeyFKQXAIHTEFTAOP-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.70
Rot. Bonds5

About [1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine

[1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine (PubChem CID 115450928) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is [1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
PubChem CID115450928
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name[1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
SMILESCC(C)SCc1noc(C2(CN)CC2)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)15-5-8-12-9(14-13-8)10(6-11)3-4-10/h7H,3-6,11H2,1-2H3
InChIKeyFKQXAIHTEFTAOP-UHFFFAOYSA-N
XLogP1.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine (CID 115450928) is [1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine is CC(C)SCc1noc(C2(CN)CC2)n1.
What is the InChIKey of [1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The InChIKey is FKQXAIHTEFTAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)15-5-8-12-9(14-13-8)10(6-11)3-4-10/h7H,3-6,11H2,1-2H3.
What are the key properties of [1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
[1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine has a molecular weight of 227.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine is sourced from PubChem (CID 115450928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).