4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane

C13H28N2OS — CID 143985171

IUPAC4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane
SMILESCC.CC.CN1CCC2(CC1)SCC(=O)N2C
InChIInChI=1S/C9H16N2OS.2C2H6/c1-10-5-3-9(4-6-10)11(2)8(12)7-13-9;2*1-2/h3-7H2,1-2H3;2*1-2H3
InChIKeyVSECMLNUQVNMIY-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.67
Rot. Bonds

About 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane

4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane (PubChem CID 143985171) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane.

Molecular Properties

Compound Name4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane
PubChem CID143985171
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane
SMILESCC.CC.CN1CCC2(CC1)SCC(=O)N2C
InChIInChI=1S/C9H16N2OS.2C2H6/c1-10-5-3-9(4-6-10)11(2)8(12)7-13-9;2*1-2/h3-7H2,1-2H3;2*1-2H3
InChIKeyVSECMLNUQVNMIY-UHFFFAOYSA-N
XLogP2.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane?
The IUPAC name of 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane (CID 143985171) is 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane.
What is the SMILES notation for 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane?
The canonical SMILES for 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane is CC.CC.CN1CCC2(CC1)SCC(=O)N2C.
What is the InChIKey of 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane?
The InChIKey is VSECMLNUQVNMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS.2C2H6/c1-10-5-3-9(4-6-10)11(2)8(12)7-13-9;2*1-2/h3-7H2,1-2H3;2*1-2H3.
What are the key properties of 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane?
4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane has a molecular weight of 260.45 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one;ethane is sourced from PubChem (CID 143985171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).