4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine

C10H17N3OS — CID 106392694

IUPAC4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine
SMILESCC1(C)CCSCC1NCc1ncon1
InChIInChI=1S/C10H17N3OS/c1-10(2)3-4-15-6-8(10)11-5-9-12-7-14-13-9/h7-8,11H,3-6H2,1-2H3
InChIKeyWDOLBRXFADSVMZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.69
Rot. Bonds3

About 4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine

4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine (PubChem CID 106392694) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine
PubChem CID106392694
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine
SMILESCC1(C)CCSCC1NCc1ncon1
InChIInChI=1S/C10H17N3OS/c1-10(2)3-4-15-6-8(10)11-5-9-12-7-14-13-9/h7-8,11H,3-6H2,1-2H3
InChIKeyWDOLBRXFADSVMZ-UHFFFAOYSA-N
XLogP1.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine?
The IUPAC name of 4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine (CID 106392694) is 4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine.
What is the SMILES notation for 4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine?
The canonical SMILES for 4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine is CC1(C)CCSCC1NCc1ncon1.
What is the InChIKey of 4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine?
The InChIKey is WDOLBRXFADSVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-10(2)3-4-15-6-8(10)11-5-9-12-7-14-13-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine?
4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine has a molecular weight of 227.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)thian-3-amine is sourced from PubChem (CID 106392694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).