1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone

C9H16N2OS — CID 169318473

IUPAC1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone
SMILESCC(=O)N1CCSC12CCNCC2
InChIInChI=1S/C9H16N2OS/c1-8(12)11-6-7-13-9(11)2-4-10-5-3-9/h10H,2-7H2,1H3
InChIKeyVPIAMILESUZWBD-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.66
Rot. Bonds

About 1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone

1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone (PubChem CID 169318473) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone
PubChem CID169318473
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone
SMILESCC(=O)N1CCSC12CCNCC2
InChIInChI=1S/C9H16N2OS/c1-8(12)11-6-7-13-9(11)2-4-10-5-3-9/h10H,2-7H2,1H3
InChIKeyVPIAMILESUZWBD-UHFFFAOYSA-N
XLogP0.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone?
The IUPAC name of 1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone (CID 169318473) is 1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone.
What is the SMILES notation for 1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone?
The canonical SMILES for 1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone is CC(=O)N1CCSC12CCNCC2.
What is the InChIKey of 1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone?
The InChIKey is VPIAMILESUZWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-8(12)11-6-7-13-9(11)2-4-10-5-3-9/h10H,2-7H2,1H3.
What are the key properties of 1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone?
1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone has a molecular weight of 200.31 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone is sourced from PubChem (CID 169318473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).