6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C17H22N2O5S — CID 119175296

IUPAC6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1ccc(NS(C)(=O)=O)c(C(=O)N2CCC3(CC2)CC3C(=O)O)c1
InChIInChI=1S/C17H22N2O5S/c1-11-3-4-14(18-25(2,23)24)12(9-11)15(20)19-7-5-17(6-8-19)10-13(17)16(21)22/h3-4,9,13,18H,5-8,10H2,1-2H3,(H,21,22)
InChIKeyRXOUCCLXDQQNJA-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.69
Rot. Bonds4

About 6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175296) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175296
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1ccc(NS(C)(=O)=O)c(C(=O)N2CCC3(CC2)CC3C(=O)O)c1
InChIInChI=1S/C17H22N2O5S/c1-11-3-4-14(18-25(2,23)24)12(9-11)15(20)19-7-5-17(6-8-19)10-13(17)16(21)22/h3-4,9,13,18H,5-8,10H2,1-2H3,(H,21,22)
InChIKeyRXOUCCLXDQQNJA-UHFFFAOYSA-N
XLogP1.69
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

6-(2,4-dimethylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174873
N-[2-[4-(aminomethyl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 119422947
6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514603
N-[2-(1,4-diazepane-1-carbonyl)-4-methylphenyl]methanesulfonamide
CID 119414359
6-(4-methyl-2-phenylsulfanylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514656
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 119621812
N-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4-methylphenyl]methanesulfonamide
CID 120659577
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577
(2R)-6-(4-fluoro-2-methylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469820
6-[4-(3,4-dimethylphenyl)-2-fluorobenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174992
6-[2-(2,5-dimethylphenyl)sulfanylacetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174371
6-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514633

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175296) is 6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCC3(CC2)CC3C(=O)O)c1.
What is the InChIKey of 6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is RXOUCCLXDQQNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-11-3-4-14(18-25(2,23)24)12(9-11)15(20)19-7-5-17(6-8-19)10-13(17)16(21)22/h3-4,9,13,18H,5-8,10H2,1-2H3,(H,21,22).
What are the key properties of 6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 366.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).