2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone

C15H24N4OS — CID 102849805

IUPAC2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H24N4OS/c1-2-5-12-13(21-18-17-12)14(20)19-9-4-7-15(11-19)6-3-8-16-10-15/h16H,2-11H2,1H3
InChIKeyJZIJCTWDNSKQHK-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.10
Rot. Bonds3

About 2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone

2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone (PubChem CID 102849805) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone
PubChem CID102849805
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H24N4OS/c1-2-5-12-13(21-18-17-12)14(20)19-9-4-7-15(11-19)6-3-8-16-10-15/h16H,2-11H2,1H3
InChIKeyJZIJCTWDNSKQHK-UHFFFAOYSA-N
XLogP2.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone (CID 102849805) is 2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is JZIJCTWDNSKQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-2-5-12-13(21-18-17-12)14(20)19-9-4-7-15(11-19)6-3-8-16-10-15/h16H,2-11H2,1H3.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone?
2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 102849805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).