9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride

C9H16ClNO3S — CID 115047183

IUPAC9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride
SMILESCl.O=C1CCNC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C9H15NO3S.ClH/c11-8-1-4-10-9(7-8)2-5-14(12,13)6-3-9;/h10H,1-7H2;1H
InChIKeyJBNJGQXKDXKUGD-UHFFFAOYSA-N
MW253.75 g/mol
LogP0.31
Rot. Bonds

About 9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride

9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride (PubChem CID 115047183) has the molecular formula C9H16ClNO3S and a molecular weight of 253.75 g/mol. Its IUPAC name is 9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride.

Molecular Properties

Compound Name9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride
PubChem CID115047183
Molecular FormulaC9H16ClNO3S
Molecular Weight253.75 g/mol
Exact Mass253.05
IUPAC Name9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride
SMILESCl.O=C1CCNC2(CCS(=O)(=O)CC2)C1
InChIInChI=1S/C9H15NO3S.ClH/c11-8-1-4-10-9(7-8)2-5-14(12,13)6-3-9;/h10H,1-7H2;1H
InChIKeyJBNJGQXKDXKUGD-UHFFFAOYSA-N
XLogP0.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-azaspiro[4.5]decan-9-one
CID 23009350
4-azaspiro[2.5]octan-7-one
CID 82418847
1-azaspiro[5.6]dodecan-4-one
CID 82408127
2,6-diazaspiro[4.5]decan-9-one
CID 115011980
(4S)-7λ6-thia-1-azaspiro[3.4]octane 7,7-dioxide
CID 124509901
7,7-dioxo-7λ6-thia-1-azaspiro[4.4]nonan-4-one
CID 115017831
tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379511
9-fluoro-2λ6-thia-6-azaspiro[4.5]decane 2,2-dioxide
CID 115025157
8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 115023776
2-benzyl-2,6-diazaspiro[4.5]decan-9-one
CID 22291215
8λ6-thia-1-azaspiro[3.5]nonane 8,8-dioxide;hydrochloride
CID 138040668
8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-3-one
CID 66107161

Frequently Asked Questions

What is the IUPAC name of 9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride?
The IUPAC name of 9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride (CID 115047183) is 9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride.
What is the SMILES notation for 9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride?
The canonical SMILES for 9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride is Cl.O=C1CCNC2(CCS(=O)(=O)CC2)C1.
What is the InChIKey of 9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride?
The InChIKey is JBNJGQXKDXKUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S.ClH/c11-8-1-4-10-9(7-8)2-5-14(12,13)6-3-9;/h10H,1-7H2;1H.
What are the key properties of 9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride?
9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride has a molecular weight of 253.75 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dioxo-9λ6-thia-1-azaspiro[5.5]undecan-4-one;hydrochloride is sourced from PubChem (CID 115047183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).