2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid

C12H19NO4S2 — CID 43619230

IUPAC2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1cc(C)sc1C)C(=O)O
InChIInChI=1S/C12H19NO4S2/c1-5-6-12(4,11(14)15)13-19(16,17)10-7-8(2)18-9(10)3/h7,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyDOLIWPOEDANUJP-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.29
Rot. Bonds6

About 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid

2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid (PubChem CID 43619230) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
PubChem CID43619230
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1cc(C)sc1C)C(=O)O
InChIInChI=1S/C12H19NO4S2/c1-5-6-12(4,11(14)15)13-19(16,17)10-7-8(2)18-9(10)3/h7,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyDOLIWPOEDANUJP-UHFFFAOYSA-N
XLogP2.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619191
N-tert-butyl-2,5-dimethylthiophene-3-sulfonamide
CID 16640089
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 43501825
2-[(2,4-dibromophenyl)sulfonylamino]-2-methylpentanoic acid
CID 60824677
2-[(3,4-dichlorophenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619247
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-2-methylpentanoic acid
CID 80735306
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate
CID 47072937
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619283
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpentanoic acid
CID 43619270
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methylpentanoic acid
CID 93225906
2-[[4-(cyanomethyl)phenyl]sulfonylamino]-2-methylpentanoic acid
CID 79186574
4-(tert-butylsulfamoyl)-N-ethyl-5-methylthiophene-2-carboxamide
CID 6502980

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid (CID 43619230) is 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid is CCCC(C)(NS(=O)(=O)c1cc(C)sc1C)C(=O)O.
What is the InChIKey of 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid?
The InChIKey is DOLIWPOEDANUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-5-6-12(4,11(14)15)13-19(16,17)10-7-8(2)18-9(10)3/h7,13H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid?
2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid has a molecular weight of 305.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-methylpentanoic acid is sourced from PubChem (CID 43619230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).