(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide

C8H18N2O2S — CID 167322847

IUPAC(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide
SMILESCC(C)NS(=O)(=O)/C=C/CN(C)C
InChIInChI=1S/C8H18N2O2S/c1-8(2)9-13(11,12)7-5-6-10(3)4/h5,7-9H,6H2,1-4H3/b7-5+
InChIKeyGOZVKJXYVUOPLA-FNORWQNLSA-N
MW206.31 g/mol
LogP0.39
Rot. Bonds5

About (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide

(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide (PubChem CID 167322847) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide
PubChem CID167322847
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide
SMILESCC(C)NS(=O)(=O)/C=C/CN(C)C
InChIInChI=1S/C8H18N2O2S/c1-8(2)9-13(11,12)7-5-6-10(3)4/h5,7-9H,6H2,1-4H3/b7-5+
InChIKeyGOZVKJXYVUOPLA-FNORWQNLSA-N
XLogP0.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(dimethylamino)-N-ethylprop-1-ene-1-sulfonamide
CID 91486171
(E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide
CID 144252051
N-[2-[bis(prop-2-enyl)amino]ethyl]methanesulfonamide
CID 155624345
(E)-3-(dimethylamino)-N-methylprop-1-ene-1-sulfonamide;molecular hydrogen;hydrofluoride
CID 165398693
(E)-4-(ethenylsulfonylamino)-N-methyl-N-propan-2-ylpent-1-ene-1-sulfonamide
CID 167202886
(E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide
CID 167322855
(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfinamide
CID 167322859
(E)-N,N-dimethyl-3-[2-(methylamino)ethylsulfonyl]prop-2-en-1-amine
CID 168261784
(2R)-2-(propan-2-ylamino)but-3-ene-1-sulfonamide
CID 169177275
Prop-1-ene;trimethyl-[2-(methylsulfamoyl)ethyl]azanium;chloride
CID 174825898
Dimethyl-[2-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride
CID 174904693
Dimethyl-[1-(methylsulfamoyl)ethyl]-prop-2-enylazanium chloride
CID 174904695

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide?
The IUPAC name of (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide (CID 167322847) is (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide?
The canonical SMILES for (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide is CC(C)NS(=O)(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide?
The InChIKey is GOZVKJXYVUOPLA-FNORWQNLSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-8(2)9-13(11,12)7-5-6-10(3)4/h5,7-9H,6H2,1-4H3/b7-5+.
What are the key properties of (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide?
(E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-N-propan-2-ylprop-1-ene-1-sulfonamide is sourced from PubChem (CID 167322847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).