N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide

C7H15NO3S — CID 79672794

IUPACN-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CC)CCO
InChIInChI=1S/C7H15NO3S/c1-3-7-12(10,11)8(4-2)5-6-9/h3,9H,1,4-7H2,2H3
InChIKeyDLZPBEGQFCETBD-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.18
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide

N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide (PubChem CID 79672794) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide
PubChem CID79672794
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CC)CCO
InChIInChI=1S/C7H15NO3S/c1-3-7-12(10,11)8(4-2)5-6-9/h3,9H,1,4-7H2,2H3
InChIKeyDLZPBEGQFCETBD-UHFFFAOYSA-N
XLogP-0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroxyethyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide (CID 79672794) is N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N(CC)CCO.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide?
The InChIKey is DLZPBEGQFCETBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-3-7-12(10,11)8(4-2)5-6-9/h3,9H,1,4-7H2,2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide?
N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide has a molecular weight of 193.27 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79672794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).