2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C24H28N4O3S — CID 66827544

IUPAC2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESO=C1NC(C2CCCCC2)=NC12CCN(S(=O)(=O)/C=C/c1cccc3ncccc13)CC2
InChIInChI=1S/C24H28N4O3S/c29-23-24(27-22(26-23)19-6-2-1-3-7-19)12-15-28(16-13-24)32(30,31)17-11-18-8-4-10-21-20(18)9-5-14-25-21/h4-5,8-11,14,17,19H,1-3,6-7,12-13,15-16H2,(H,26,27,29)/b17-11+
InChIKeyZTTQMXIHUAWGJT-GZTJUZNOSA-N
MW452.58 g/mol
LogP3.48
Rot. Bonds4

About 2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 66827544) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID66827544
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESO=C1NC(C2CCCCC2)=NC12CCN(S(=O)(=O)/C=C/c1cccc3ncccc13)CC2
InChIInChI=1S/C24H28N4O3S/c29-23-24(27-22(26-23)19-6-2-1-3-7-19)12-15-28(16-13-24)32(30,31)17-11-18-8-4-10-21-20(18)9-5-14-25-21/h4-5,8-11,14,17,19H,1-3,6-7,12-13,15-16H2,(H,26,27,29)/b17-11+
InChIKeyZTTQMXIHUAWGJT-GZTJUZNOSA-N
XLogP3.48
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-8-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethenylsulfonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817635
2-cyclohexyl-8-[(E)-2-(1,3-thiazol-2-yl)ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66816398
2-cycloheptyl-8-[2-[1-[(2S)-2,3-dihydroxypropyl]indol-4-yl]ethenylsulfonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817604
2-cyclohexyl-8-(2-cyclopentylethenylsulfonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817688
2-cyclohexyl-8-[2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-methylphenyl]ethenylsulfonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 77171926
2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66815765
8-[2-[4-amino-2,6-bis(trifluoromethyl)phenyl]ethenylsulfonyl]-2-cyclohexyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 123860607
8-[(E)-2-[4-amino-2,6-bis(trifluoromethyl)phenyl]ethenyl]sulfonyl-2-cyclohexyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 87166412
4-[(E)-2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethenyl]-N-[2-(dimethylamino)ethyl]-3-methylbenzenesulfonamide
CID 66817965
2-cyclohexyl-8-[2-[2,6-dimethyl-4-(1,3-thiazol-2-ylamino)phenyl]ethenylsulfonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 123901733
2-cyclohexyl-8-[(E)-5-(1H-indol-4-yl)pent-4-enyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66816819
2-cyclohexyl-8-[(E)-2-[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-fluoroindol-4-yl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;sulfane
CID 162062232

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 66827544) is 2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is O=C1NC(C2CCCCC2)=NC12CCN(S(=O)(=O)/C=C/c1cccc3ncccc13)CC2.
What is the InChIKey of 2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is ZTTQMXIHUAWGJT-GZTJUZNOSA-N. The full InChI is InChI=1S/C24H28N4O3S/c29-23-24(27-22(26-23)19-6-2-1-3-7-19)12-15-28(16-13-24)32(30,31)17-11-18-8-4-10-21-20(18)9-5-14-25-21/h4-5,8-11,14,17,19H,1-3,6-7,12-13,15-16H2,(H,26,27,29)/b17-11+.
What are the key properties of 2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 452.58 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-8-[(E)-2-quinolin-5-ylethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 66827544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).