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

C24H34N4O4S — CID 66815765

IUPAC2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1ccc(NCCO)cc1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(C1CCCCC1)NC2=O
InChIInChI=1S/C24H34N4O4S/c1-18-7-8-21(25-12-15-29)17-20(18)9-16-33(31,32)28-13-10-24(11-14-28)23(30)26-22(27-24)19-5-3-2-4-6-19/h7-9,16-17,19,25,29H,2-6,10-15H2,1H3,(H,26,27,30)/b16-9+
InChIKeyFCTWXMAXSOLJMA-CXUHLZMHSA-N
MW474.63 g/mol
LogP2.64
Rot. Bonds7

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

2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 66815765) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is 2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID66815765
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC Name2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1ccc(NCCO)cc1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(C1CCCCC1)NC2=O
InChIInChI=1S/C24H34N4O4S/c1-18-7-8-21(25-12-15-29)17-20(18)9-16-33(31,32)28-13-10-24(11-14-28)23(30)26-22(27-24)19-5-3-2-4-6-19/h7-9,16-17,19,25,29H,2-6,10-15H2,1H3,(H,26,27,30)/b16-9+
InChIKeyFCTWXMAXSOLJMA-CXUHLZMHSA-N
XLogP2.64
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-8-[2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethylsulfonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66818132
tert-butyl N-[[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethenyl]-3-methylphenyl]methyl]-N-(2-hydroxyethyl)carbamate
CID 66816898
tert-butyl N-[[4-[(E)-2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethenyl]-3-methylphenyl]methyl]-N-(2-hydroxyethyl)carbamate
CID 66816897
ethyl 2-[(E)-2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethenyl]benzoate
CID 89113381
2-cyclohexyl-8-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66815914
N-[3-ethyl-4-[2-[[2-(4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethenyl]phenyl]acetamide
CID 66816154
(2S)-2-amino-N-[4-[2-[(2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl]ethenyl]-3,5-dimethylphenyl]-3-methylbutanamide
CID 66815979
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-[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-[2-[3-fluoro-2-(trifluoromethyl)phenyl]ethenylsulfonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66817635
8-[(E)-2-[2,6-dimethyl-4-(propan-2-ylamino)phenyl]ethenyl]sulfonyl-2-(4-methylcyclohexyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118473322
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 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) is 2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is Cc1ccc(NCCO)cc1/C=C/S(=O)(=O)N1CCC2(CC1)N=C(C1CCCCC1)NC2=O.
What is the InChIKey of 2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is FCTWXMAXSOLJMA-CXUHLZMHSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-18-7-8-21(25-12-15-29)17-20(18)9-16-33(31,32)28-13-10-24(11-14-28)23(30)26-22(27-24)19-5-3-2-4-6-19/h7-9,16-17,19,25,29H,2-6,10-15H2,1H3,(H,26,27,30)/b16-9+.
What are the key properties of 2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 474.63 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-8-[(E)-2-[5-(2-hydroxyethylamino)-2-methylphenyl]ethenyl]sulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 66815765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).