methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate

C18H24N2O5S — CID 162632182

IUPACmethyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCN(C(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC2
InChIInChI=1S/C18H24N2O5S/c1-19(26(3,23)24)14-6-4-13(5-7-14)16(21)20-10-8-18(9-11-20)12-15(18)17(22)25-2/h4-7,15H,8-12H2,1-3H3
InChIKeyADXQXEUYMLVYOT-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.50
Rot. Bonds4

About methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate

methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate (PubChem CID 162632182) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate
PubChem CID162632182
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Namemethyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCN(C(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC2
InChIInChI=1S/C18H24N2O5S/c1-19(26(3,23)24)14-6-4-13(5-7-14)16(21)20-10-8-18(9-11-20)12-15(18)17(22)25-2/h4-7,15H,8-12H2,1-3H3
InChIKeyADXQXEUYMLVYOT-UHFFFAOYSA-N
XLogP1.50
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate with MolForge

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Related Compounds

methyl 1-[3-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
CID 50947988
6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175388
6-(4-propan-2-ylsulfonylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136510
6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175381
6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174414
N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
CID 1085603
N-[4-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-N-methylmethanesulfonamide
CID 137344283
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899
[4-(dimethylamino)phenyl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80718582
methyl (2S)-6-(1-oxoisochromene-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 124736988
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
[4-(dimethylamino)phenyl]-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131648723

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate?
The IUPAC name of methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate (CID 162632182) is methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate is COC(=O)C1CC12CCN(C(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CC2.
What is the InChIKey of methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate?
The InChIKey is ADXQXEUYMLVYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-19(26(3,23)24)14-6-4-13(5-7-14)16(21)20-10-8-18(9-11-20)12-15(18)17(22)25-2/h4-7,15H,8-12H2,1-3H3.
What are the key properties of methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate?
methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate has a molecular weight of 380.47 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-[methyl(methylsulfonyl)amino]benzoyl]-6-azaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 162632182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).