4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide

C18H25NO3S — CID 15529692

IUPAC4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@]23CCCCC3=O)cc1
InChIInChI=1S/C18H25NO3S/c1-14-8-10-15(11-9-14)23(21,22)19-16-6-2-4-12-18(16)13-5-3-7-17(18)20/h8-11,16,19H,2-7,12-13H2,1H3/t16-,18-/m0/s1
InChIKeySKGGECSKIPDFIE-WMZOPIPTSA-N
MW335.47 g/mol
LogP3.35
Rot. Bonds3

About 4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide

4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide (PubChem CID 15529692) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is 4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide
PubChem CID15529692
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@]23CCCCC3=O)cc1
InChIInChI=1S/C18H25NO3S/c1-14-8-10-15(11-9-14)23(21,22)19-16-6-2-4-12-18(16)13-5-3-7-17(18)20/h8-11,16,19H,2-7,12-13H2,1H3/t16-,18-/m0/s1
InChIKeySKGGECSKIPDFIE-WMZOPIPTSA-N
XLogP3.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(3R,4R)-1-oxaspiro[2.5]octan-4-yl]benzenesulfonamide
CID 11845877
4-methyl-N-[(1S,2S)-2-methyl-2-propanoylcyclohexyl]benzenesulfonamide
CID 134926580
N-[(1S,2S)-2-ethyl-2-propanoylcyclohexyl]-4-methylbenzenesulfonamide
CID 134984235
4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide
CID 57066316
N-[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]-4-methylbenzenesulfonamide
CID 102363883
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1S,2S)-2-formyl-2-phenylcyclopentyl]-4-methylbenzenesulfonamide
CID 15529713
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-(2,2-dimethylcyclohexyl)-4-ethenylbenzenesulfonamide
CID 59891712

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide (CID 15529692) is 4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@]23CCCCC3=O)cc1.
What is the InChIKey of 4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide?
The InChIKey is SKGGECSKIPDFIE-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-14-8-10-15(11-9-14)23(21,22)19-16-6-2-4-12-18(16)13-5-3-7-17(18)20/h8-11,16,19H,2-7,12-13H2,1H3/t16-,18-/m0/s1.
What are the key properties of 4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide?
4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide is sourced from PubChem (CID 15529692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).