N-ethenyl-N-methylbutane-1-sulfonamide

C7H15NO2S — CID 102249028

IUPACN-ethenyl-N-methylbutane-1-sulfonamide
SMILESC=CN(C)S(=O)(=O)CCCC
InChIInChI=1S/C7H15NO2S/c1-4-6-7-11(9,10)8(3)5-2/h5H,2,4,6-7H2,1,3H3
InChIKeyVGOAWYQJAAFENL-UHFFFAOYSA-N
MW177.27 g/mol
LogP1.19
Rot. Bonds5

About N-ethenyl-N-methylbutane-1-sulfonamide

N-ethenyl-N-methylbutane-1-sulfonamide (PubChem CID 102249028) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-ethenyl-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-ethenyl-N-methylbutane-1-sulfonamide
PubChem CID102249028
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-ethenyl-N-methylbutane-1-sulfonamide
SMILESC=CN(C)S(=O)(=O)CCCC
InChIInChI=1S/C7H15NO2S/c1-4-6-7-11(9,10)8(3)5-2/h5H,2,4,6-7H2,1,3H3
InChIKeyVGOAWYQJAAFENL-UHFFFAOYSA-N
XLogP1.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-methylbutane-1-sulfonamide?
The IUPAC name of N-ethenyl-N-methylbutane-1-sulfonamide (CID 102249028) is N-ethenyl-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-ethenyl-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-ethenyl-N-methylbutane-1-sulfonamide is C=CN(C)S(=O)(=O)CCCC.
What is the InChIKey of N-ethenyl-N-methylbutane-1-sulfonamide?
The InChIKey is VGOAWYQJAAFENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-4-6-7-11(9,10)8(3)5-2/h5H,2,4,6-7H2,1,3H3.
What are the key properties of N-ethenyl-N-methylbutane-1-sulfonamide?
N-ethenyl-N-methylbutane-1-sulfonamide has a molecular weight of 177.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 102249028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).