1,2,2-trideuterio-N-propan-2-ylethenesulfonamide

C5H11NO2S — CID 130375975

IUPAC1,2,2-trideuterio-N-propan-2-ylethenesulfonamide
SMILES[2H]C([2H])=C([2H])S(=O)(=O)NC(C)C
InChIInChI=1S/C5H11NO2S/c1-4-9(7,8)6-5(2)3/h4-6H,1H2,2-3H3/i1D2,4D
InChIKeyCGDDYMVIXJCQDT-KBWBXHAQSA-N
MW152.23 g/mol
LogP0.46
Rot. Bonds3

About 1,2,2-trideuterio-N-propan-2-ylethenesulfonamide

1,2,2-trideuterio-N-propan-2-ylethenesulfonamide (PubChem CID 130375975) has the molecular formula C5H11NO2S and a molecular weight of 152.23 g/mol. Its IUPAC name is 1,2,2-trideuterio-N-propan-2-ylethenesulfonamide.

Molecular Properties

Compound Name1,2,2-trideuterio-N-propan-2-ylethenesulfonamide
PubChem CID130375975
Molecular FormulaC5H11NO2S
Molecular Weight152.23 g/mol
Exact Mass152.07
IUPAC Name1,2,2-trideuterio-N-propan-2-ylethenesulfonamide
SMILES[2H]C([2H])=C([2H])S(=O)(=O)NC(C)C
InChIInChI=1S/C5H11NO2S/c1-4-9(7,8)6-5(2)3/h4-6H,1H2,2-3H3/i1D2,4D
InChIKeyCGDDYMVIXJCQDT-KBWBXHAQSA-N
XLogP0.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trideuterio-N-propan-2-ylethenesulfonamide?
The IUPAC name of 1,2,2-trideuterio-N-propan-2-ylethenesulfonamide (CID 130375975) is 1,2,2-trideuterio-N-propan-2-ylethenesulfonamide.
What is the SMILES notation for 1,2,2-trideuterio-N-propan-2-ylethenesulfonamide?
The canonical SMILES for 1,2,2-trideuterio-N-propan-2-ylethenesulfonamide is [2H]C([2H])=C([2H])S(=O)(=O)NC(C)C.
What is the InChIKey of 1,2,2-trideuterio-N-propan-2-ylethenesulfonamide?
The InChIKey is CGDDYMVIXJCQDT-KBWBXHAQSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4-9(7,8)6-5(2)3/h4-6H,1H2,2-3H3/i1D2,4D.
What are the key properties of 1,2,2-trideuterio-N-propan-2-ylethenesulfonamide?
1,2,2-trideuterio-N-propan-2-ylethenesulfonamide has a molecular weight of 152.23 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trideuterio-N-propan-2-ylethenesulfonamide is sourced from PubChem (CID 130375975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).