N-(2-propan-2-ylsulfonylethyl)prop-2-enamide

C8H15NO3S — CID 130271934

IUPACN-(2-propan-2-ylsulfonylethyl)prop-2-enamide
SMILESC=CC(=O)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C8H15NO3S/c1-4-8(10)9-5-6-13(11,12)7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyNYZDZHMGKVWWGW-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.11
Rot. Bonds5

About N-(2-propan-2-ylsulfonylethyl)prop-2-enamide

N-(2-propan-2-ylsulfonylethyl)prop-2-enamide (PubChem CID 130271934) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfonylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfonylethyl)prop-2-enamide
PubChem CID130271934
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC NameN-(2-propan-2-ylsulfonylethyl)prop-2-enamide
SMILESC=CC(=O)NCCS(=O)(=O)C(C)C
InChIInChI=1S/C8H15NO3S/c1-4-8(10)9-5-6-13(11,12)7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKeyNYZDZHMGKVWWGW-UHFFFAOYSA-N
XLogP0.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-propan-2-ylsulfonylethyl)prop-2-enamide 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-(2-propan-2-ylsulfonylethyl)prop-2-enamide?
The IUPAC name of N-(2-propan-2-ylsulfonylethyl)prop-2-enamide (CID 130271934) is N-(2-propan-2-ylsulfonylethyl)prop-2-enamide.
What is the SMILES notation for N-(2-propan-2-ylsulfonylethyl)prop-2-enamide?
The canonical SMILES for N-(2-propan-2-ylsulfonylethyl)prop-2-enamide is C=CC(=O)NCCS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-propan-2-ylsulfonylethyl)prop-2-enamide?
The InChIKey is NYZDZHMGKVWWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-4-8(10)9-5-6-13(11,12)7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10).
What are the key properties of N-(2-propan-2-ylsulfonylethyl)prop-2-enamide?
N-(2-propan-2-ylsulfonylethyl)prop-2-enamide has a molecular weight of 205.28 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfonylethyl)prop-2-enamide is sourced from PubChem (CID 130271934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).