1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one

C6H10N2O3S — CID 55280250

IUPAC1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1NCCC12CCNS2(=O)=O
InChIInChI=1S/C6H10N2O3S/c9-5-6(1-3-7-5)2-4-8-12(6,10)11/h8H,1-4H2,(H,7,9)
InChIKeyXRMBTSQHDQTKKX-UHFFFAOYSA-N
MW190.22 g/mol
LogP-1.43
Rot. Bonds

About 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one

1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one (PubChem CID 55280250) has the molecular formula C6H10N2O3S and a molecular weight of 190.22 g/mol. Its IUPAC name is 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one
PubChem CID55280250
Molecular FormulaC6H10N2O3S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1NCCC12CCNS2(=O)=O
InChIInChI=1S/C6H10N2O3S/c9-5-6(1-3-7-5)2-4-8-12(6,10)11/h8H,1-4H2,(H,7,9)
InChIKeyXRMBTSQHDQTKKX-UHFFFAOYSA-N
XLogP-1.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butylsulfonyl-2,7-diazaspiro[4.4]nonan-8-one
CID 108481716
2-Ethylsulfonyl-2,7-diazaspiro[4.4]nonan-8-one
CID 108481943
1,1-Dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one
CID 117029913
4,4-Dimethyl-1,1-dioxo-2-(2-pyrrolidin-3-ylethyl)-1,2-thiazolidin-3-one
CID 117030056
N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 119533377
N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 119533378
(5-Oxopyrrolidin-3-yl)methanesulfonamide
CID 130820135
3-[2-(Pyrrolidine-1-sulfonyl)ethyl]pyrrolidin-2-one
CID 165460769
N,N-dimethyl-2-(2-oxopyrrolidin-3-yl)ethane-1-sulfonamide
CID 165789369

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one (CID 55280250) is 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one is O=C1NCCC12CCNS2(=O)=O.
What is the InChIKey of 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is XRMBTSQHDQTKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3S/c9-5-6(1-3-7-5)2-4-8-12(6,10)11/h8H,1-4H2,(H,7,9).
What are the key properties of 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one?
1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 190.22 g/mol, XLogP of -1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-1λ6-thia-2,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 55280250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).