N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide

C9H19NO2S — CID 61360633

IUPACN-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO2S/c1-6-10(7-8(2)3)13(11,12)9(4)5/h9H,2,6-7H2,1,3-5H3
InChIKeyUTXGOZQJPQCDHB-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.62
Rot. Bonds5

About N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide

N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide (PubChem CID 61360633) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide
PubChem CID61360633
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide
SMILESC=C(C)CN(CC)S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO2S/c1-6-10(7-8(2)3)13(11,12)9(4)5/h9H,2,6-7H2,1,3-5H3
InChIKeyUTXGOZQJPQCDHB-UHFFFAOYSA-N
XLogP1.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide (CID 61360633) is N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide is C=C(C)CN(CC)S(=O)(=O)C(C)C.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide?
The InChIKey is UTXGOZQJPQCDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-6-10(7-8(2)3)13(11,12)9(4)5/h9H,2,6-7H2,1,3-5H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide?
N-ethyl-N-(2-methylprop-2-enyl)propane-2-sulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.62, 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)propane-2-sulfonamide is sourced from PubChem (CID 61360633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).