N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide

C8H17NO2S — CID 60642884

IUPACN-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)CC
InChIInChI=1S/C8H17NO2S/c1-5-9(7-8(3)4)12(10,11)6-2/h3,5-7H2,1-2,4H3
InChIKeyIKSPJSYSJUDGBJ-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.23
Rot. Bonds5

About N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide

N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide (PubChem CID 60642884) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide
PubChem CID60642884
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)CC
InChIInChI=1S/C8H17NO2S/c1-5-9(7-8(3)4)12(10,11)6-2/h3,5-7H2,1-2,4H3
InChIKeyIKSPJSYSJUDGBJ-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.23
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-(2-methylprop-2-enyl)ethanesulfonamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide (CID 60642884) is N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide is C=C(C)CN(CC)S(=O)(=O)CC.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide?
The InChIKey is IKSPJSYSJUDGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-5-9(7-8(3)4)12(10,11)6-2/h3,5-7H2,1-2,4H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide?
N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)ethanesulfonamide is sourced from PubChem (CID 60642884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).