4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

C13H24N2OS — CID 139352008

IUPAC4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)N1CCC2(CC1)SCC(=O)N2C(C)C
InChIInChI=1S/C13H24N2OS/c1-10(2)14-7-5-13(6-8-14)15(11(3)4)12(16)9-17-13/h10-11H,5-9H2,1-4H3
InChIKeyOCMPUAJWEDDXSV-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.17
Rot. Bonds2

About 4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (PubChem CID 139352008) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
PubChem CID139352008
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
SMILESCC(C)N1CCC2(CC1)SCC(=O)N2C(C)C
InChIInChI=1S/C13H24N2OS/c1-10(2)14-7-5-13(6-8-14)15(11(3)4)12(16)9-17-13/h10-11H,5-9H2,1-4H3
InChIKeyOCMPUAJWEDDXSV-UHFFFAOYSA-N
XLogP2.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (CID 139352008) is 4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is CC(C)N1CCC2(CC1)SCC(=O)N2C(C)C.
What is the InChIKey of 4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
The InChIKey is OCMPUAJWEDDXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10(2)14-7-5-13(6-8-14)15(11(3)4)12(16)9-17-13/h10-11H,5-9H2,1-4H3.
What are the key properties of 4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one?
4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one has a molecular weight of 256.41 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-di(propan-2-yl)-1-thia-4,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 139352008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).