5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide

C16H20N4O6S — CID 24659198

IUPAC5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)ccc1OC
InChIInChI=1S/C16H20N4O6S/c1-17-27(24,25)12-9-10(3-4-11(12)26-2)13(21)20-7-5-16(6-8-20)14(22)18-15(23)19-16/h3-4,9,17H,5-8H2,1-2H3,(H2,18,19,22,23)
InChIKeyDBMRGIOGIRMRAQ-UHFFFAOYSA-N
MW396.43 g/mol
LogP-0.58
Rot. Bonds4

About 5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide

5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 24659198) has the molecular formula C16H20N4O6S and a molecular weight of 396.43 g/mol. Its IUPAC name is 5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
PubChem CID24659198
Molecular FormulaC16H20N4O6S
Molecular Weight396.43 g/mol
Exact Mass396.11
IUPAC Name5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)ccc1OC
InChIInChI=1S/C16H20N4O6S/c1-17-27(24,25)12-9-10(3-4-11(12)26-2)13(21)20-7-5-16(6-8-20)14(22)18-15(23)19-16/h3-4,9,17H,5-8H2,1-2H3,(H2,18,19,22,23)
InChIKeyDBMRGIOGIRMRAQ-UHFFFAOYSA-N
XLogP-0.58
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 49071505
(3S)-1-[4-methoxy-3-(methylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125118224
4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239861
N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide
CID 36871410
2-methoxy-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119491799
8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963106
N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 29262539
2-methoxy-N-methyl-5-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119472443
5-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 55685294
1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256273
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119468592
2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119401125

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide (CID 24659198) is 5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)ccc1OC.
What is the InChIKey of 5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is DBMRGIOGIRMRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O6S/c1-17-27(24,25)12-9-10(3-4-11(12)26-2)13(21)20-7-5-16(6-8-20)14(22)18-15(23)19-16/h3-4,9,17H,5-8H2,1-2H3,(H2,18,19,22,23).
What are the key properties of 5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide?
5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 396.43 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 24659198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).