methyl (2S)-2-(methanesulfonamido)butanoate

C6H13NO4S — CID 58935385

IUPACmethyl (2S)-2-(methanesulfonamido)butanoate
SMILESCC[C@H](NS(C)(=O)=O)C(=O)OC
InChIInChI=1S/C6H13NO4S/c1-4-5(6(8)11-2)7-12(3,9)10/h5,7H,4H2,1-3H3/t5-/m0/s1
InChIKeyCBXXUADHRSHWFI-YFKPBYRVSA-N
MW195.24 g/mol
LogP-0.51
Rot. Bonds4

About methyl (2S)-2-(methanesulfonamido)butanoate

methyl (2S)-2-(methanesulfonamido)butanoate (PubChem CID 58935385) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is methyl (2S)-2-(methanesulfonamido)butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(methanesulfonamido)butanoate
PubChem CID58935385
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Namemethyl (2S)-2-(methanesulfonamido)butanoate
SMILESCC[C@H](NS(C)(=O)=O)C(=O)OC
InChIInChI=1S/C6H13NO4S/c1-4-5(6(8)11-2)7-12(3,9)10/h5,7H,4H2,1-3H3/t5-/m0/s1
InChIKeyCBXXUADHRSHWFI-YFKPBYRVSA-N
XLogP-0.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(methanesulfonamido)butanoate?
The IUPAC name of methyl (2S)-2-(methanesulfonamido)butanoate (CID 58935385) is methyl (2S)-2-(methanesulfonamido)butanoate.
What is the SMILES notation for methyl (2S)-2-(methanesulfonamido)butanoate?
The canonical SMILES for methyl (2S)-2-(methanesulfonamido)butanoate is CC[C@H](NS(C)(=O)=O)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(methanesulfonamido)butanoate?
The InChIKey is CBXXUADHRSHWFI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-4-5(6(8)11-2)7-12(3,9)10/h5,7H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of methyl (2S)-2-(methanesulfonamido)butanoate?
methyl (2S)-2-(methanesulfonamido)butanoate has a molecular weight of 195.24 g/mol, XLogP of -0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(methanesulfonamido)butanoate is sourced from PubChem (CID 58935385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).