(2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid

C4H9NO4S2 — CID 58386225

IUPAC(2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid
SMILESCS(=O)(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C4H9NO4S2/c1-11(8,9)5-3(2-10)4(6)7/h3,5,10H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyPBODFRFFLSZUMH-VKHMYHEASA-N
MW199.25 g/mol
LogP-1.08
Rot. Bonds4

About (2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid

(2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid (PubChem CID 58386225) has the molecular formula C4H9NO4S2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid
PubChem CID58386225
Molecular FormulaC4H9NO4S2
Molecular Weight199.25 g/mol
Exact Mass199.00
IUPAC Name(2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid
SMILESCS(=O)(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C4H9NO4S2/c1-11(8,9)5-3(2-10)4(6)7/h3,5,10H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyPBODFRFFLSZUMH-VKHMYHEASA-N
XLogP-1.08
TPSA83.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

L-Cysteic acid monohydrate
CID 12308854
3-(Methyldithio)-L-alanine
CID 3080775
Homocysteine sulfonamide
CID 134185
(2R)-2-amino-3-sulfamoylpropanoic acid
CID 20057192
S-Propylmercaptocysteine
CID 192762
S-sulfo-L-cysteinate(1-)
CID 6604702
2-Amino-3-sulfamoylpropanoic acid
CID 282012
2-Methanesulfonamidopropanoic acid
CID 13443844
2-Ethanesulfonamidopropanoic acid
CID 16228507
S-(2-(Amino(Dihydroxy)-Lambda~4~-Sulfanyl)Ethyl)-D-Cysteine
CID 448254
3-(Ethyldisulfanyl)-l-alanine
CID 480046
(2R)-2-amino-3-(hydroxysulfamoyl)propanoic acid
CID 54287926

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid (CID 58386225) is (2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid is CS(=O)(=O)N[C@@H](CS)C(=O)O.
What is the InChIKey of (2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid?
The InChIKey is PBODFRFFLSZUMH-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9NO4S2/c1-11(8,9)5-3(2-10)4(6)7/h3,5,10H,2H2,1H3,(H,6,7)/t3-/m0/s1.
What are the key properties of (2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid?
(2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid has a molecular weight of 199.25 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methanesulfonamido)-3-sulfanylpropanoic acid is sourced from PubChem (CID 58386225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).