N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide

C12H26N2O4S2 — CID 134927361

IUPACN-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC/C=C/CNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O4S2/c1-11(2,3)19(15,16)13-9-7-8-10-14-20(17,18)12(4,5)6/h7-8,13-14H,9-10H2,1-6H3/b8-7+
InChIKeyZRDAFLBTVNULMZ-BQYQJAHWSA-N
MW326.48 g/mol
LogP0.98
Rot. Bonds6

About N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide

N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide (PubChem CID 134927361) has the molecular formula C12H26N2O4S2 and a molecular weight of 326.48 g/mol. Its IUPAC name is N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide
PubChem CID134927361
Molecular FormulaC12H26N2O4S2
Molecular Weight326.48 g/mol
Exact Mass326.13
IUPAC NameN-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC/C=C/CNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C12H26N2O4S2/c1-11(2,3)19(15,16)13-9-7-8-10-14-20(17,18)12(4,5)6/h7-8,13-14H,9-10H2,1-6H3/b8-7+
InChIKeyZRDAFLBTVNULMZ-BQYQJAHWSA-N
XLogP0.98
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-ynyl-2-methylpropane-2-sulfonamide
CID 167346891
N-[[4-(bromomethyl)phenyl]methyl]-2-methylpropane-2-sulfonamide
CID 107233970
N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide
CID 66177542
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropane-2-sulfonamide
CID 63688636
N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide
CID 106125748
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide
CID 115456682
N-[(E)-4-chlorobut-2-enyl]-2-methoxyethanesulfonamide
CID 81429777
N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide
CID 63689180
tert-butyl 3-(tert-butylsulfonylamino)propanoate
CID 174928986
5-(tert-butylsulfonylamino)-N-phenylpentanamide
CID 20631022
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-2-sulfonamide
CID 65121313
1,1,1-trifluoro-N-(2-oxoethyl)methanesulfonamide
CID 56982959

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide (CID 134927361) is N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC/C=C/CNS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide?
The InChIKey is ZRDAFLBTVNULMZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H26N2O4S2/c1-11(2,3)19(15,16)13-9-7-8-10-14-20(17,18)12(4,5)6/h7-8,13-14H,9-10H2,1-6H3/b8-7+.
What are the key properties of N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide?
N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide has a molecular weight of 326.48 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-(tert-butylsulfonylamino)but-2-enyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 134927361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).