3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone

C14H22N4OS — CID 56864650

IUPAC3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C14H22N4OS/c1-2-11-12(20-17-16-11)13(19)18-9-5-14(6-10-18)3-7-15-8-4-14/h15H,2-10H2,1H3
InChIKeySEFLZRBTHCCXEJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.71
Rot. Bonds2

About 3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone

3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 56864650) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone
PubChem CID56864650
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C14H22N4OS/c1-2-11-12(20-17-16-11)13(19)18-9-5-14(6-10-18)3-7-15-8-4-14/h15H,2-10H2,1H3
InChIKeySEFLZRBTHCCXEJ-UHFFFAOYSA-N
XLogP1.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone 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 3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of 3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone (CID 56864650) is 3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for 3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for 3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is SEFLZRBTHCCXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-2-11-12(20-17-16-11)13(19)18-9-5-14(6-10-18)3-7-15-8-4-14/h15H,2-10H2,1H3.
What are the key properties of 3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone?
3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 294.42 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazaspiro[5.5]undecan-3-yl-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 56864650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).