4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide

C17H23NO3S — CID 11290207

IUPAC4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@]23CCCC3=O)cc1
InChIInChI=1S/C17H23NO3S/c1-13-7-9-14(10-8-13)22(20,21)18-15-5-2-3-11-17(15)12-4-6-16(17)19/h7-10,15,18H,2-6,11-12H2,1H3/t15-,17-/m0/s1
InChIKeyLSQOHYFUGMPSRY-RDJZCZTQSA-N
MW321.44 g/mol
LogP2.96
Rot. Bonds3

About 4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide

4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide (PubChem CID 11290207) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is 4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide
PubChem CID11290207
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H]2CCCC[C@]23CCCC3=O)cc1
InChIInChI=1S/C17H23NO3S/c1-13-7-9-14(10-8-13)22(20,21)18-15-5-2-3-11-17(15)12-4-6-16(17)19/h7-10,15,18H,2-6,11-12H2,1H3/t15-,17-/m0/s1
InChIKeyLSQOHYFUGMPSRY-RDJZCZTQSA-N
XLogP2.96
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[2-(1,7-Dimethyl-2-oxo-bicyclo[2.2.1]hept-7-yl)-ethyl]-4-methyl-benzenesulfonamide
CID 16681770
4-[2-[[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]ethyl]benzenesulfonamide
CID 53320228
4-[2-[[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methylsulfonylamino]ethyl]benzenesulfonamide
CID 53326762
4-acetyl-N-cyclooctylbenzenesulfonamide
CID 7938156
4-methyl-N-[(2S)-4-oxo-1-phenylbutan-2-yl]benzenesulfonamide
CID 10757857
N-Tosyl-L-lysinyl methyl ketone
CID 5289452
N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide
CID 6636276
4-methyl-N-[(3S)-1-oxoheptan-3-yl]benzenesulfonamide
CID 44574979
Tosyl phenylalanyl chloromethyl ketone
CID 18609500
4-acetyl-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 25644122
4-(6-Amino-3-oxohexyl)benzenesulfonamide
CID 46888518
4-methyl-N-(3-oxocyclohexyl)benzenesulfonamide
CID 10587907

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide (CID 11290207) is 4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@]23CCCC3=O)cc1.
What is the InChIKey of 4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide?
The InChIKey is LSQOHYFUGMPSRY-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-13-7-9-14(10-8-13)22(20,21)18-15-5-2-3-11-17(15)12-4-6-16(17)19/h7-10,15,18H,2-6,11-12H2,1H3/t15-,17-/m0/s1.
What are the key properties of 4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide?
4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide has a molecular weight of 321.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5S,10S)-4-oxospiro[4.5]decan-10-yl]benzenesulfonamide is sourced from PubChem (CID 11290207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).