methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate

C5H11NO5S — CID 141001511

IUPACmethyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate
SMILESCOC(=O)[C@H](CO)NS(C)(=O)=O
InChIInChI=1S/C5H11NO5S/c1-11-5(8)4(3-7)6-12(2,9)10/h4,6-7H,3H2,1-2H3/t4-/m0/s1
InChIKeyWFCAGILKIGJSJX-BYPYZUCNSA-N
MW197.21 g/mol
LogP-1.93
Rot. Bonds4

About methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate

methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate (PubChem CID 141001511) has the molecular formula C5H11NO5S and a molecular weight of 197.21 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate
PubChem CID141001511
Molecular FormulaC5H11NO5S
Molecular Weight197.21 g/mol
Exact Mass197.04
IUPAC Namemethyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate
SMILESCOC(=O)[C@H](CO)NS(C)(=O)=O
InChIInChI=1S/C5H11NO5S/c1-11-5(8)4(3-7)6-12(2,9)10/h4,6-7H,3H2,1-2H3/t4-/m0/s1
InChIKeyWFCAGILKIGJSJX-BYPYZUCNSA-N
XLogP-1.93
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate (CID 141001511) is methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate is COC(=O)[C@H](CO)NS(C)(=O)=O.
What is the InChIKey of methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate?
The InChIKey is WFCAGILKIGJSJX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO5S/c1-11-5(8)4(3-7)6-12(2,9)10/h4,6-7H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate?
methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate has a molecular weight of 197.21 g/mol, XLogP of -1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-(methanesulfonamido)propanoate is sourced from PubChem (CID 141001511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).