N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide

C22H42N2O4S2 — CID 101396862

IUPACN-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1(/C=C/C2(NS(=O)(=O)C(C)(C)C)CCCCC2)CCCCC1
InChIInChI=1S/C22H42N2O4S2/c1-19(2,3)29(25,26)23-21(13-9-7-10-14-21)17-18-22(15-11-8-12-16-22)24-30(27,28)20(4,5)6/h17-18,23-24H,7-16H2,1-6H3/b18-17+
InChIKeyXEGMQXYZAWKHSZ-ISLYRVAYSA-N
MW462.72 g/mol
LogP4.38
Rot. Bonds6

About N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide

N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 101396862) has the molecular formula C22H42N2O4S2 and a molecular weight of 462.72 g/mol. Its IUPAC name is N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID101396862
Molecular FormulaC22H42N2O4S2
Molecular Weight462.72 g/mol
Exact Mass462.26
IUPAC NameN-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1(/C=C/C2(NS(=O)(=O)C(C)(C)C)CCCCC2)CCCCC1
InChIInChI=1S/C22H42N2O4S2/c1-19(2,3)29(25,26)23-21(13-9-7-10-14-21)17-18-22(15-11-8-12-16-22)24-30(27,28)20(4,5)6/h17-18,23-24H,7-16H2,1-6H3/b18-17+
InChIKeyXEGMQXYZAWKHSZ-ISLYRVAYSA-N
XLogP4.38
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.72
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide with MolForge

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Related Compounds

(2E,1S,4S)-N,N'-bis-(tert-butylsulfonyl)-1,4-dicyclohexyl-but-2-ene-1,4-diamine
CID 101396860
N-[(E,11S,14S)-14-(tert-butylsulfonylamino)-11,14-dicyclohexyltetracos-12-en-11-yl]-2-methylpropane-2-sulfonamide
CID 134926391
N-[(E,3S,6S)-6-(tert-butylsulfonylamino)-3,6-dicyclohexyl-2,2,7,7-tetramethyloct-4-en-3-yl]-2-methylpropane-2-sulfonamide
CID 134926514
N-[(E,1R,4R)-4-(tert-butylsulfonylamino)-1,4-dicyclohexylbut-2-enyl]-2-methylpropane-2-sulfonamide
CID 134999210

Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide (CID 101396862) is N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1(/C=C/C2(NS(=O)(=O)C(C)(C)C)CCCCC2)CCCCC1.
What is the InChIKey of N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is XEGMQXYZAWKHSZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C22H42N2O4S2/c1-19(2,3)29(25,26)23-21(13-9-7-10-14-21)17-18-22(15-11-8-12-16-22)24-30(27,28)20(4,5)6/h17-18,23-24H,7-16H2,1-6H3/b18-17+.
What are the key properties of N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 462.72 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-2-[1-(tert-butylsulfonylamino)cyclohexyl]ethenyl]cyclohexyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 101396862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).