N-(2-ethylsulfonylethyl)prop-2-enamide

C7H13NO3S — CID 88902547

IUPACN-(2-ethylsulfonylethyl)prop-2-enamide
SMILESC=CC(=O)NCCS(=O)(=O)CC
InChIInChI=1S/C7H13NO3S/c1-3-7(9)8-5-6-12(10,11)4-2/h3H,1,4-6H2,2H3,(H,8,9)
InChIKeyCXOGZRVVLWZQHF-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.28
Rot. Bonds5

About N-(2-ethylsulfonylethyl)prop-2-enamide

N-(2-ethylsulfonylethyl)prop-2-enamide (PubChem CID 88902547) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)prop-2-enamide
PubChem CID88902547
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC NameN-(2-ethylsulfonylethyl)prop-2-enamide
SMILESC=CC(=O)NCCS(=O)(=O)CC
InChIInChI=1S/C7H13NO3S/c1-3-7(9)8-5-6-12(10,11)4-2/h3H,1,4-6H2,2H3,(H,8,9)
InChIKeyCXOGZRVVLWZQHF-UHFFFAOYSA-N
XLogP-0.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)prop-2-enamide?
The IUPAC name of N-(2-ethylsulfonylethyl)prop-2-enamide (CID 88902547) is N-(2-ethylsulfonylethyl)prop-2-enamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)prop-2-enamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)prop-2-enamide is C=CC(=O)NCCS(=O)(=O)CC.
What is the InChIKey of N-(2-ethylsulfonylethyl)prop-2-enamide?
The InChIKey is CXOGZRVVLWZQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-3-7(9)8-5-6-12(10,11)4-2/h3H,1,4-6H2,2H3,(H,8,9).
What are the key properties of N-(2-ethylsulfonylethyl)prop-2-enamide?
N-(2-ethylsulfonylethyl)prop-2-enamide has a molecular weight of 191.25 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)prop-2-enamide is sourced from PubChem (CID 88902547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).