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

C10H16N2O5S2 — CID 65221173

IUPAC3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C10H16N2O5S2/c1-5(2)7(8(13)14)4-11-19(16,17)9-6(3)12-10(15)18-9/h5,7,11H,4H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyNJCHVZZCZIBRGX-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.38
Rot. Bonds6

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

3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid (PubChem CID 65221173) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid
PubChem CID65221173
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Name3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C10H16N2O5S2/c1-5(2)7(8(13)14)4-11-19(16,17)9-6(3)12-10(15)18-9/h5,7,11H,4H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyNJCHVZZCZIBRGX-UHFFFAOYSA-N
XLogP0.38
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S)-2-hydroxy-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 107835235
4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
CID 107474816
N-(2-aminopropyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63731283
N-[2-(dimethylamino)propyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 54912813
4-methyl-2-oxo-N-(2-phenylpropyl)-3H-1,3-thiazole-5-sulfonamide
CID 60715984
3-methyl-2-[[(5-methylthiophen-2-yl)sulfonylamino]methyl]butanoic acid
CID 65221421
N-(3-aminobutyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 63253510
7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid
CID 43244912
4-methyl-N-(5-methylhexyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 115326850
(2S)-4-amino-2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]-4-oxobutanoic acid
CID 61141173
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 130964713
N-benzyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716003

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid (CID 65221173) is 3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid is Cc1[nH]c(=O)sc1S(=O)(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid?
The InChIKey is NJCHVZZCZIBRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-5(2)7(8(13)14)4-11-19(16,17)9-6(3)12-10(15)18-9/h5,7,11H,4H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid?
3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid has a molecular weight of 308.38 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid is sourced from PubChem (CID 65221173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).