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

C12H20N2O5S2 — CID 107474816

IUPAC4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C12H20N2O5S2/c1-7-10(20-11(17)14-7)21(18,19)13-6-8(9(15)16)5-12(2,3)4/h8,13H,5-6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyXLZYEUGQYUBFJM-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.16
Rot. Bonds6

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

4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid (PubChem CID 107474816) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
PubChem CID107474816
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC Name4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC(CC(C)(C)C)C(=O)O
InChIInChI=1S/C12H20N2O5S2/c1-7-10(20-11(17)14-7)21(18,19)13-6-8(9(15)16)5-12(2,3)4/h8,13H,5-6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyXLZYEUGQYUBFJM-UHFFFAOYSA-N
XLogP1.16
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic 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
3-methyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]butanoic acid
CID 65221173
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
7-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]heptanoic acid
CID 43244912
N-(2-hydroxy-2-methylpentyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 106290415
N-tert-butyl-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723564
4-methyl-N-(2-methyl-2-phenylpropyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60987902
N-hydroxy-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 130964713
4-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 114117389
methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate
CID 43423054

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid (CID 107474816) is 4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid is Cc1[nH]c(=O)sc1S(=O)(=O)NCC(CC(C)(C)C)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid?
The InChIKey is XLZYEUGQYUBFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-7-10(20-11(17)14-7)21(18,19)13-6-8(9(15)16)5-12(2,3)4/h8,13H,5-6H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid?
4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid has a molecular weight of 336.44 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid is sourced from PubChem (CID 107474816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).