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

C9H20N2O2S — CID 167322855

IUPAC(E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)/C=C/CN(C)C
InChIInChI=1S/C9H20N2O2S/c1-9(2)11(5)14(12,13)8-6-7-10(3)4/h6,8-9H,7H2,1-5H3/b8-6+
InChIKeyOMBOHZQWEJVMCW-SOFGYWHQSA-N
MW220.34 g/mol
LogP0.73
Rot. Bonds5

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

(E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide (PubChem CID 167322855) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide
PubChem CID167322855
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)/C=C/CN(C)C
InChIInChI=1S/C9H20N2O2S/c1-9(2)11(5)14(12,13)8-6-7-10(3)4/h6,8-9H,7H2,1-5H3/b8-6+
InChIKeyOMBOHZQWEJVMCW-SOFGYWHQSA-N
XLogP0.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide?
The IUPAC name of (E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide (CID 167322855) is (E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide?
The canonical SMILES for (E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide is CC(C)N(C)S(=O)(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide?
The InChIKey is OMBOHZQWEJVMCW-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2)11(5)14(12,13)8-6-7-10(3)4/h6,8-9H,7H2,1-5H3/b8-6+.
What are the key properties of (E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide?
(E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-N-methyl-N-propan-2-ylprop-1-ene-1-sulfonamide is sourced from PubChem (CID 167322855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).