6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C18H24N2O5S — CID 120514603

IUPAC6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C18H24N2O5S/c1-2-11-26(24,25)19-15-6-4-3-5-13(15)16(21)20-9-7-18(8-10-20)12-14(18)17(22)23/h3-6,14,19H,2,7-12H2,1H3,(H,22,23)
InChIKeyKPPBJWNKOXULCA-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.17
Rot. Bonds6

About 6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 120514603) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID120514603
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C18H24N2O5S/c1-2-11-26(24,25)19-15-6-4-3-5-13(15)16(21)20-9-7-18(8-10-20)12-14(18)17(22)23/h3-6,14,19H,2,7-12H2,1H3,(H,22,23)
InChIKeyKPPBJWNKOXULCA-UHFFFAOYSA-N
XLogP2.17
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[2-(propylsulfonylamino)benzoyl]piperidine-4-carboxylic acid
CID 120528098
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 119516967
6-[2-(methanesulfonamido)-5-methylbenzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175296
N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 120748480
(3S)-1-[2-(ethylsulfonylamino)benzoyl]piperidine-3-carboxylic acid
CID 119174076
6-(2-nitrobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175382
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
CID 119376284
6-[2-(phenoxymethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175545
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119624813
6-(2-propylsulfonylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174715
N-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]phenyl]ethanesulfonamide;hydrochloride
CID 119520283
6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174414

Frequently Asked Questions

What is the IUPAC name of 6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 120514603) is 6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is CCCS(=O)(=O)Nc1ccccc1C(=O)N1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is KPPBJWNKOXULCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-2-11-26(24,25)19-15-6-4-3-5-13(15)16(21)20-9-7-18(8-10-20)12-14(18)17(22)23/h3-6,14,19H,2,7-12H2,1H3,(H,22,23).
What are the key properties of 6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 380.47 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(propylsulfonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 120514603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).