N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide

C10H19NO3S — CID 154807595

IUPACN-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide
SMILESCC=C(C)C(=O)NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H19NO3S/c1-6-8(2)9(12)11-15(13,14)7-10(3,4)5/h6H,7H2,1-5H3,(H,11,12)
InChIKeyIQRXCULNJNGEAN-UHFFFAOYSA-N
MW233.33 g/mol
LogP1.44
Rot. Bonds3

About N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide

N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide (PubChem CID 154807595) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide
PubChem CID154807595
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide
SMILESCC=C(C)C(=O)NS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C10H19NO3S/c1-6-8(2)9(12)11-15(13,14)7-10(3,4)5/h6H,7H2,1-5H3,(H,11,12)
InChIKeyIQRXCULNJNGEAN-UHFFFAOYSA-N
XLogP1.44
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
(E)-N-ethyl-2-methylbut-2-enamide
CID 22451134
2-(2,2-dimethylpropylsulfonylamino)-2-methylbutanoic acid
CID 79792159
N-methoxy-2,2-dimethylpropane-1-sulfonamide
CID 64973863
1-(2,2-dimethylpropylsulfonyl)propan-2-one
CID 58530448
(E)-N-[(E)-but-2-en-2-yl]-2-methylbut-2-enamide
CID 143664915
N-(1-hydroxy-2-methylbutan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 64556421
2-methylbut-2-enehydrazide;methyl hydrogen sulfate
CID 174612863
N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide
CID 106846746
(E)-2-methyl-N-[(E)-prop-1-enyl]but-2-enamide
CID 141238660
N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 107322937
N-[[4-(2,2-dimethylpropanoyl)cyclohexyl]methyl]-2-methylbut-2-enamide;molecular hydrogen
CID 153355270

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide?
The IUPAC name of N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide (CID 154807595) is N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide.
What is the SMILES notation for N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide?
The canonical SMILES for N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide is CC=C(C)C(=O)NS(=O)(=O)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide?
The InChIKey is IQRXCULNJNGEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-6-8(2)9(12)11-15(13,14)7-10(3,4)5/h6H,7H2,1-5H3,(H,11,12).
What are the key properties of N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide?
N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide has a molecular weight of 233.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropylsulfonyl)-2-methylbut-2-enamide is sourced from PubChem (CID 154807595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).