(2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid

C4H9NO5S — CID 40618715

IUPAC(2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid
SMILESCS(=O)(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C4H9NO5S/c1-11(9,10)5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1
InChIKeyKXSCWYXDGYJSFM-VKHMYHEASA-N
MW183.18 g/mol
LogP-2.02
Rot. Bonds4

About (2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid

(2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid (PubChem CID 40618715) has the molecular formula C4H9NO5S and a molecular weight of 183.18 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid
PubChem CID40618715
Molecular FormulaC4H9NO5S
Molecular Weight183.18 g/mol
Exact Mass183.02
IUPAC Name(2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid
SMILESCS(=O)(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C4H9NO5S/c1-11(9,10)5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1
InChIKeyKXSCWYXDGYJSFM-VKHMYHEASA-N
XLogP-2.02
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid (CID 40618715) is (2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid is CS(=O)(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid?
The InChIKey is KXSCWYXDGYJSFM-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO5S/c1-11(9,10)5-3(2-6)4(7)8/h3,5-6H,2H2,1H3,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid?
(2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid has a molecular weight of 183.18 g/mol, XLogP of -2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(methanesulfonamido)propanoic acid is sourced from PubChem (CID 40618715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).