9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C9H14N2O4S — CID 20798889

IUPAC9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCS(=O)(=O)CC1CCCC12NC(=O)NC2=O
InChIInChI=1S/C9H14N2O4S/c1-16(14,15)5-6-3-2-4-9(6)7(12)10-8(13)11-9/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyLGIHZDPVKSWVTG-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.59
Rot. Bonds2

About 9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 20798889) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID20798889
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCS(=O)(=O)CC1CCCC12NC(=O)NC2=O
InChIInChI=1S/C9H14N2O4S/c1-16(14,15)5-6-3-2-4-9(6)7(12)10-8(13)11-9/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyLGIHZDPVKSWVTG-UHFFFAOYSA-N
XLogP-0.59
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 95566914
(5R,9S)-9-(methoxymethoxymethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124672662
(5S,9S)-9-fluoro-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 46939003
6-chloro-N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-2-methylpyridine-3-sulfonamide
CID 177036785
3,5-dichloro-N-[[(5R,9S)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]benzenesulfonamide
CID 97076287
6-propan-2-yl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 115563241
4-bromo-N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-3-methylbenzenesulfonamide
CID 97068152
tert-butyl N-[[(5S,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566495
tert-butyl N-[[(5R,6R)-2,4-dioxo-1,3-diazaspiro[4.5]decan-6-yl]methyl]carbamate
CID 95566497
6-methoxy-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106872094
N-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-7-methyl-2,3-dihydro-1H-indene-4-carboxamide
CID 128555479
(5R,9S)-9-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124881194

Frequently Asked Questions

What is the IUPAC name of 9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 20798889) is 9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is CS(=O)(=O)CC1CCCC12NC(=O)NC2=O.
What is the InChIKey of 9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is LGIHZDPVKSWVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-16(14,15)5-6-3-2-4-9(6)7(12)10-8(13)11-9/h6H,2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 246.29 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methylsulfonylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 20798889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).