(E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide

C6H13NO2S — CID 129119272

IUPAC(E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide
SMILES[2H]/C(C)=C(/[2H])S(=O)(=O)NC(C)C
InChIInChI=1S/C6H13NO2S/c1-4-5-10(8,9)7-6(2)3/h4-7H,1-3H3/b5-4+/i4D,5D
InChIKeyOKKQDMLYXYKAQO-AXXYTVHGSA-N
MW165.25 g/mol
LogP0.85
Rot. Bonds3

About (E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide

(E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide (PubChem CID 129119272) has the molecular formula C6H13NO2S and a molecular weight of 165.25 g/mol. Its IUPAC name is (E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide
PubChem CID129119272
Molecular FormulaC6H13NO2S
Molecular Weight165.25 g/mol
Exact Mass165.08
IUPAC Name(E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide
SMILES[2H]/C(C)=C(/[2H])S(=O)(=O)NC(C)C
InChIInChI=1S/C6H13NO2S/c1-4-5-10(8,9)7-6(2)3/h4-7H,1-3H3/b5-4+/i4D,5D
InChIKeyOKKQDMLYXYKAQO-AXXYTVHGSA-N
XLogP0.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide?
The IUPAC name of (E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide (CID 129119272) is (E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide.
What is the SMILES notation for (E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide?
The canonical SMILES for (E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide is [2H]/C(C)=C(/[2H])S(=O)(=O)NC(C)C.
What is the InChIKey of (E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide?
The InChIKey is OKKQDMLYXYKAQO-AXXYTVHGSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-4-5-10(8,9)7-6(2)3/h4-7H,1-3H3/b5-4+/i4D,5D.
What are the key properties of (E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide?
(E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide has a molecular weight of 165.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-dideuterio-N-propan-2-ylprop-1-ene-1-sulfonamide is sourced from PubChem (CID 129119272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).