2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride

C5H12ClNO3S — CID 154577330

IUPAC2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride
SMILESCl.[H]N=S(C)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C5H11NO3S.ClH/c1-5(2,4(7)8)10(3,6)9;/h6H,1-3H3,(H,7,8);1H
InChIKeyZMGKOMBNIVEMHU-UHFFFAOYSA-N
MW201.67 g/mol
LogP0.95
Rot. Bonds2

About 2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride

2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride (PubChem CID 154577330) has the molecular formula C5H12ClNO3S and a molecular weight of 201.67 g/mol. Its IUPAC name is 2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride
PubChem CID154577330
Molecular FormulaC5H12ClNO3S
Molecular Weight201.67 g/mol
Exact Mass201.02
IUPAC Name2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride
SMILESCl.[H]N=S(C)(=O)C(C)(C)C(=O)O
InChIInChI=1S/C5H11NO3S.ClH/c1-5(2,4(7)8)10(3,6)9;/h6H,1-3H3,(H,7,8);1H
InChIKeyZMGKOMBNIVEMHU-UHFFFAOYSA-N
XLogP0.95
TPSA78.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride?
The IUPAC name of 2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride (CID 154577330) is 2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride is Cl.[H]N=S(C)(=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride?
The InChIKey is ZMGKOMBNIVEMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3S.ClH/c1-5(2,4(7)8)10(3,6)9;/h6H,1-3H3,(H,7,8);1H.
What are the key properties of 2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride?
2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride has a molecular weight of 201.67 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylsulfonimidoyl)propanoic acid;hydrochloride is sourced from PubChem (CID 154577330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).