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

C10H16N2O4S2 — CID 103414080

IUPAC2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1cnc(C)s1)C(=O)O
InChIInChI=1S/C10H16N2O4S2/c1-4-5-10(3,9(13)14)12-18(15,16)8-6-11-7(2)17-8/h6,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyRJBZBXGRISPLTG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.37
Rot. Bonds6

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

2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid (PubChem CID 103414080) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid
PubChem CID103414080
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid
SMILESCCCC(C)(NS(=O)(=O)c1cnc(C)s1)C(=O)O
InChIInChI=1S/C10H16N2O4S2/c1-4-5-10(3,9(13)14)12-18(15,16)8-6-11-7(2)17-8/h6,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyRJBZBXGRISPLTG-UHFFFAOYSA-N
XLogP1.37
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid (CID 103414080) is 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid is CCCC(C)(NS(=O)(=O)c1cnc(C)s1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid?
The InChIKey is RJBZBXGRISPLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-4-5-10(3,9(13)14)12-18(15,16)8-6-11-7(2)17-8/h6,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid?
2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 103414080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).