(2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid

C9H14N2O5S3 — CID 93263803

IUPAC(2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](NS(=O)(=O)c1sc(=O)[nH]c1C)C(=O)O
InChIInChI=1S/C9H14N2O5S3/c1-5-8(18-9(14)10-5)19(15,16)11-6(7(12)13)3-4-17-2/h6,11H,3-4H2,1-2H3,(H,10,14)(H,12,13)/t6-/m1/s1
InChIKeyULIXGGIFLNQTFR-ZCFIWIBFSA-N
MW326.42 g/mol
LogP0.23
Rot. Bonds7

About (2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid

(2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid (PubChem CID 93263803) has the molecular formula C9H14N2O5S3 and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
PubChem CID93263803
Molecular FormulaC9H14N2O5S3
Molecular Weight326.42 g/mol
Exact Mass326.01
IUPAC Name(2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](NS(=O)(=O)c1sc(=O)[nH]c1C)C(=O)O
InChIInChI=1S/C9H14N2O5S3/c1-5-8(18-9(14)10-5)19(15,16)11-6(7(12)13)3-4-17-2/h6,11H,3-4H2,1-2H3,(H,10,14)(H,12,13)/t6-/m1/s1
InChIKeyULIXGGIFLNQTFR-ZCFIWIBFSA-N
XLogP0.23
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid
CID 61141173
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43078991
(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 107835235
(2R)-2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906673
(2S)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 61144815
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43235784
3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid
CID 65221173
2-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 3157171
2-(ethylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 4961765
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 28828984
(2S)-2-[(5-cyanothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 114165907
4-methyl-N-(3-methylpentan-2-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54955518

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid (CID 93263803) is (2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid is CSCC[C@@H](NS(=O)(=O)c1sc(=O)[nH]c1C)C(=O)O.
What is the InChIKey of (2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid?
The InChIKey is ULIXGGIFLNQTFR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N2O5S3/c1-5-8(18-9(14)10-5)19(15,16)11-6(7(12)13)3-4-17-2/h6,11H,3-4H2,1-2H3,(H,10,14)(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid?
(2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid has a molecular weight of 326.42 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 93263803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).