3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine

C8H13N3OS — CID 167184797

IUPAC3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
SMILESCSC1CC(NCc2ncon2)C1
InChIInChI=1S/C8H13N3OS/c1-13-7-2-6(3-7)9-4-8-10-5-12-11-8/h5-7,9H,2-4H2,1H3
InChIKeyDCLFWCCQQORXCZ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.05
Rot. Bonds4

About 3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine

3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine (PubChem CID 167184797) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
PubChem CID167184797
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
SMILESCSC1CC(NCc2ncon2)C1
InChIInChI=1S/C8H13N3OS/c1-13-7-2-6(3-7)9-4-8-10-5-12-11-8/h5-7,9H,2-4H2,1H3
InChIKeyDCLFWCCQQORXCZ-UHFFFAOYSA-N
XLogP1.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine (CID 167184797) is 3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine is CSC1CC(NCc2ncon2)C1.
What is the InChIKey of 3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is DCLFWCCQQORXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-13-7-2-6(3-7)9-4-8-10-5-12-11-8/h5-7,9H,2-4H2,1H3.
What are the key properties of 3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine?
3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 199.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 167184797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).