N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide

C13H26N2O3S — CID 159233646

IUPACN-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide
SMILESC=CC(=O)NC(C)(C)C.C=CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H13NO.C6H13NO2S/c1-5-6(9)8-7(2,3)4;1-5-10(8,9)7-6(2,3)4/h5H,1H2,2-4H3,(H,8,9);5,7H,1H2,2-4H3
InChIKeyKTFAQAUQOXOKJT-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.93
Rot. Bonds3

About N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide

N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide (PubChem CID 159233646) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide.

Molecular Properties

Compound NameN-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide
PubChem CID159233646
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide
SMILESC=CC(=O)NC(C)(C)C.C=CS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C7H13NO.C6H13NO2S/c1-5-6(9)8-7(2,3)4;1-5-10(8,9)7-6(2,3)4/h5H,1H2,2-4H3,(H,8,9);5,7H,1H2,2-4H3
InChIKeyKTFAQAUQOXOKJT-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride
CID 173206543
N-tert-butylprop-2-enamide;sulfane
CID 158648389
lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite
CID 175485708
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
2,2-dimethyl-1,1-bis(prop-2-enoylamino)propane-1-sulfonic acid
CID 163211981
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
1-hydroxy-2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 18784390
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;1-methylsulfonylethene
CID 157315544
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid;dihydrate
CID 141386572
alumane;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CID 173293073
3-methyl-3-(prop-2-enoylamino)-2-sulfobutanoic acid
CID 122583527
azane;2-(prop-2-enoylamino)butane-2-sulfonic acid
CID 174864476

Frequently Asked Questions

What is the IUPAC name of N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide?
The IUPAC name of N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide (CID 159233646) is N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide.
What is the SMILES notation for N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide?
The canonical SMILES for N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide is C=CC(=O)NC(C)(C)C.C=CS(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide?
The InChIKey is KTFAQAUQOXOKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C6H13NO2S/c1-5-6(9)8-7(2,3)4;1-5-10(8,9)7-6(2,3)4/h5H,1H2,2-4H3,(H,8,9);5,7H,1H2,2-4H3.
What are the key properties of N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide?
N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide has a molecular weight of 290.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide is sourced from PubChem (CID 159233646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).