N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

C17H23FN2O3S — CID 71837117

IUPACN-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)Nc2ccc(F)cc2)C2(CCCCC2)C1
InChIInChI=1S/C17H23FN2O3S/c1-24(22,23)20-11-15(17(12-20)9-3-2-4-10-17)16(21)19-14-7-5-13(18)6-8-14/h5-8,15H,2-4,9-12H2,1H3,(H,19,21)
InChIKeyMBWQIUAFXCSBTQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.61
Rot. Bonds3

About N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 71837117) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID71837117
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC NameN-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)Nc2ccc(F)cc2)C2(CCCCC2)C1
InChIInChI=1S/C17H23FN2O3S/c1-24(22,23)20-11-15(17(12-20)9-3-2-4-10-17)16(21)19-14-7-5-13(18)6-8-14/h5-8,15H,2-4,9-12H2,1H3,(H,19,21)
InChIKeyMBWQIUAFXCSBTQ-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-cyclopropylsulfonyl-N-(4-methoxyphenyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 95105764
N-methyl-2-methylsulfonyl-N-phenyl-2-azaspiro[4.5]decane-4-carboxamide
CID 86771564
2,2-difluoro-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 144539030
2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
CID 53183442
(4S)-2-cyclopropylsulfonyl-N-[(3-fluorophenyl)methyl]-2-azaspiro[4.5]decane-4-carboxamide
CID 129369274
N-cyclohexyl-2-(5-fluoro-2-methylphenyl)sulfonyl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912684
N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide
CID 56689692
(4R)-N-benzyl-2-cyclopropylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105804
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
N-(4-chlorophenyl)-2,8-dimethyl-2-azaspiro[4.5]decane-4-carboxamide
CID 155221391
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432802
1-[(4-fluorophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 43163270

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 71837117) is N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is CS(=O)(=O)N1CC(C(=O)Nc2ccc(F)cc2)C2(CCCCC2)C1.
What is the InChIKey of N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is MBWQIUAFXCSBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-24(22,23)20-11-15(17(12-20)9-3-2-4-10-17)16(21)19-14-7-5-13(18)6-8-14/h5-8,15H,2-4,9-12H2,1H3,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 71837117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).