N-ethyl-N-methylprop-2-ene-1-sulfonamide

C6H13NO2S — CID 22094767

IUPACN-ethyl-N-methylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(C)CC
InChIInChI=1S/C6H13NO2S/c1-4-6-10(8,9)7(3)5-2/h4H,1,5-6H2,2-3H3
InChIKeyKZBWMXMORWXUOJ-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.45
Rot. Bonds4

About N-ethyl-N-methylprop-2-ene-1-sulfonamide

N-ethyl-N-methylprop-2-ene-1-sulfonamide (PubChem CID 22094767) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-ethyl-N-methylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-methylprop-2-ene-1-sulfonamide
PubChem CID22094767
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-ethyl-N-methylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(C)CC
InChIInChI=1S/C6H13NO2S/c1-4-6-10(8,9)7(3)5-2/h4H,1,5-6H2,2-3H3
InChIKeyKZBWMXMORWXUOJ-UHFFFAOYSA-N
XLogP0.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylprop-2-ene-1-sulfonamide?
The IUPAC name of N-ethyl-N-methylprop-2-ene-1-sulfonamide (CID 22094767) is N-ethyl-N-methylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-methylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-ethyl-N-methylprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N(C)CC.
What is the InChIKey of N-ethyl-N-methylprop-2-ene-1-sulfonamide?
The InChIKey is KZBWMXMORWXUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-4-6-10(8,9)7(3)5-2/h4H,1,5-6H2,2-3H3.
What are the key properties of N-ethyl-N-methylprop-2-ene-1-sulfonamide?
N-ethyl-N-methylprop-2-ene-1-sulfonamide has a molecular weight of 163.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 22094767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).