N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide

C22H46N2O4S2 — CID 101396854

IUPACN-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide
SMILESCCCCCC(/C=C/C(CCCCC)NS(=O)(=O)C(C)(C)C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C22H46N2O4S2/c1-9-11-13-15-19(23-29(25,26)21(3,4)5)17-18-20(16-14-12-10-2)24-30(27,28)22(6,7)8/h17-20,23-24H,9-16H2,1-8H3/b18-17+
InChIKeyHWUJEWACRXVCGJ-ISLYRVAYSA-N
MW466.75 g/mol
LogP4.88
Rot. Bonds14

About N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide

N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide (PubChem CID 101396854) has the molecular formula C22H46N2O4S2 and a molecular weight of 466.75 g/mol. Its IUPAC name is N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide
PubChem CID101396854
Molecular FormulaC22H46N2O4S2
Molecular Weight466.75 g/mol
Exact Mass466.29
IUPAC NameN-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide
SMILESCCCCCC(/C=C/C(CCCCC)NS(=O)(=O)C(C)(C)C)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C22H46N2O4S2/c1-9-11-13-15-19(23-29(25,26)21(3,4)5)17-18-20(16-14-12-10-2)24-30(27,28)22(6,7)8/h17-20,23-24H,9-16H2,1-8H3/b18-17+
InChIKeyHWUJEWACRXVCGJ-ISLYRVAYSA-N
XLogP4.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.75
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E,11R,14R)-14-(tert-butylsulfonylamino)tetracos-12-en-11-yl]-2-methylpropane-2-sulfonamide
CID 11657324
(2E,1S,4S)-N,N'-bis-(tert-butylsulfonyl)-1,4-dicyclohexyl-but-2-ene-1,4-diamine
CID 101396860
N-[(E,3S,6S)-6-(tert-butylsulfonylamino)-2,2,7,7-tetramethyloct-4-en-3-yl]-2-methylpropane-2-sulfonamide
CID 101396861
N-(2-butylcyclopent-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388633
N-(2-butylcyclohex-2-en-1-yl)-2-methylpropane-2-sulfonamide
CID 102388637
N-[(5R,6E,8R)-8-(tert-butylsulfonylamino)dodeca-1,6,11-trien-5-yl]-2-methylpropane-2-sulfonamide
CID 134996783
N-[(E,1R,4R)-4-(tert-butylsulfonylamino)-1,4-dicyclohexylbut-2-enyl]-2-methylpropane-2-sulfonamide
CID 134999210
(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide
CID 135000510
(2Z,4E,7E)-9-amino-N-heptan-4-yl-6-methylidenenona-2,4,7-triene-4-sulfonamide
CID 143954904
N-cyclohex-2-en-1-ylmethanesulfonamide;N,N-dimethylmethanesulfinamide;ethane;N-methyl-N-propan-2-ylmethanesulfinamide
CID 167493575
N-[(6E)-8-(tert-butylsulfonylamino)dodeca-1,6,11-trien-5-yl]-2-methylpropane-2-sulfonamide
CID 12169609
N-[(9R,10E,12R)-12-(tert-butylsulfonylamino)icosa-1,10,19-trien-9-yl]-2-methylpropane-2-sulfonamide
CID 24749885

Frequently Asked Questions

What is the IUPAC name of N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide (CID 101396854) is N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide is CCCCCC(/C=C/C(CCCCC)NS(=O)(=O)C(C)(C)C)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is HWUJEWACRXVCGJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C22H46N2O4S2/c1-9-11-13-15-19(23-29(25,26)21(3,4)5)17-18-20(16-14-12-10-2)24-30(27,28)22(6,7)8/h17-20,23-24H,9-16H2,1-8H3/b18-17+.
What are the key properties of N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide?
N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 466.75 g/mol, XLogP of 4.88, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-9-(tert-butylsulfonylamino)tetradec-7-en-6-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 101396854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).