(2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid

C5H9NO4S2 — CID 141001470

IUPAC(2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid
SMILESCSCC[C@@H](N=S(=O)=O)C(=O)O
InChIInChI=1S/C5H9NO4S2/c1-11-3-2-4(5(7)8)6-12(9)10/h4H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyUWCWGAOCCYDDQP-SCSAIBSYSA-N
MW211.26 g/mol
LogP0.26
Rot. Bonds5

About (2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid

(2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid (PubChem CID 141001470) has the molecular formula C5H9NO4S2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid
PubChem CID141001470
Molecular FormulaC5H9NO4S2
Molecular Weight211.26 g/mol
Exact Mass211.00
IUPAC Name(2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid
SMILESCSCC[C@@H](N=S(=O)=O)C(=O)O
InChIInChI=1S/C5H9NO4S2/c1-11-3-2-4(5(7)8)6-12(9)10/h4H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyUWCWGAOCCYDDQP-SCSAIBSYSA-N
XLogP0.26
TPSA83.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Zinc methionine sulfate
CID 22849947
Sulfonium, (3-amino-3-carboxypropyl)dimethyl-, methyl sulfate (1:1)
CID 198559
2-Ethanesulfonamido-4-(methylsulfanyl)butanoic acid
CID 4961765
(S)-((2-Amino-4-(methylthio)butanoyl)oxy)zinc(II) hydrogensulfate
CID 60145898
Methanesulfonylmethionine
CID 29893389
Sulfhydryl methionine
CID 129664283
Sulfonyl homocysteine
CID 129732802
Sulfomethionine
CID 129788007
(1-Carboxy-3-methylsulfanylpropyl)azanium;sulfuric acid;ZINC
CID 170845627
(1-Carboxy-3-methylsulfanylpropyl)azanium;iron;sulfuric acid
CID 170847245
Zinc Methionine 40% 40M
CID 62112
(2S)-4-methylsulfanyl-2-selenonitrosobutanoic acid
CID 11356558

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid?
The IUPAC name of (2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid (CID 141001470) is (2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid.
What is the SMILES notation for (2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid?
The canonical SMILES for (2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid is CSCC[C@@H](N=S(=O)=O)C(=O)O.
What is the InChIKey of (2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid?
The InChIKey is UWCWGAOCCYDDQP-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9NO4S2/c1-11-3-2-4(5(7)8)6-12(9)10/h4H,2-3H2,1H3,(H,7,8)/t4-/m1/s1.
What are the key properties of (2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid?
(2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methylsulfanyl-2-(sulfonylamino)butanoic acid is sourced from PubChem (CID 141001470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).