[(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride

C4H12ClNO3S — CID 139087652

IUPAC[(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride
SMILESC[C@@H]([NH3+])COS(C)(=O)=O.[Cl-]
InChIInChI=1S/C4H11NO3S.ClH/c1-4(5)3-8-9(2,6)7;/h4H,3,5H2,1-2H3;1H/t4-;/m1./s1
InChIKeyXYXPUYLCUPSSDS-PGMHMLKASA-N
MW189.66 g/mol
LogP-4.40
Rot. Bonds3

About [(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride

[(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride (PubChem CID 139087652) has the molecular formula C4H12ClNO3S and a molecular weight of 189.66 g/mol. Its IUPAC name is [(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride
PubChem CID139087652
Molecular FormulaC4H12ClNO3S
Molecular Weight189.66 g/mol
Exact Mass189.02
IUPAC Name[(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride
SMILESC[C@@H]([NH3+])COS(C)(=O)=O.[Cl-]
InChIInChI=1S/C4H11NO3S.ClH/c1-4(5)3-8-9(2,6)7;/h4H,3,5H2,1-2H3;1H/t4-;/m1./s1
InChIKeyXYXPUYLCUPSSDS-PGMHMLKASA-N
XLogP-4.40
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.66
LogP ≤ 5-4.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride?
The IUPAC name of [(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride (CID 139087652) is [(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride.
What is the SMILES notation for [(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride?
The canonical SMILES for [(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride is C[C@@H]([NH3+])COS(C)(=O)=O.[Cl-].
What is the InChIKey of [(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride?
The InChIKey is XYXPUYLCUPSSDS-PGMHMLKASA-N. The full InChI is InChI=1S/C4H11NO3S.ClH/c1-4(5)3-8-9(2,6)7;/h4H,3,5H2,1-2H3;1H/t4-;/m1./s1.
What are the key properties of [(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride?
[(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride has a molecular weight of 189.66 g/mol, XLogP of -4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-methylsulfonyloxypropan-2-yl]azanium chloride is sourced from PubChem (CID 139087652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).