N-ethyl-N-propylprop-2-ene-1-sulfonamide

C8H17NO2S — CID 143361636

IUPACN-ethyl-N-propylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CC)CCC
InChIInChI=1S/C8H17NO2S/c1-4-7-9(6-3)12(10,11)8-5-2/h5H,2,4,6-8H2,1,3H3
InChIKeyMSWMYMTZXSJMKS-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.23
Rot. Bonds6

About N-ethyl-N-propylprop-2-ene-1-sulfonamide

N-ethyl-N-propylprop-2-ene-1-sulfonamide (PubChem CID 143361636) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-ethyl-N-propylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-propylprop-2-ene-1-sulfonamide
PubChem CID143361636
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-ethyl-N-propylprop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)N(CC)CCC
InChIInChI=1S/C8H17NO2S/c1-4-7-9(6-3)12(10,11)8-5-2/h5H,2,4,6-8H2,1,3H3
InChIKeyMSWMYMTZXSJMKS-UHFFFAOYSA-N
XLogP1.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-propylprop-2-ene-1-sulfonamide?
The IUPAC name of N-ethyl-N-propylprop-2-ene-1-sulfonamide (CID 143361636) is N-ethyl-N-propylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-propylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-ethyl-N-propylprop-2-ene-1-sulfonamide is C=CCS(=O)(=O)N(CC)CCC.
What is the InChIKey of N-ethyl-N-propylprop-2-ene-1-sulfonamide?
The InChIKey is MSWMYMTZXSJMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-4-7-9(6-3)12(10,11)8-5-2/h5H,2,4,6-8H2,1,3H3.
What are the key properties of N-ethyl-N-propylprop-2-ene-1-sulfonamide?
N-ethyl-N-propylprop-2-ene-1-sulfonamide has a molecular weight of 191.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 143361636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).