2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid

C11H18N2O4S2 — CID 122070083

IUPAC2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)CCc1scnc1C)C(=O)O
InChIInChI=1S/C11H18N2O4S2/c1-3-4-9(11(14)15)13-19(16,17)6-5-10-8(2)12-7-18-10/h7,9,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyDBSLLYIDIBCGIB-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.17
Rot. Bonds8

About 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid

2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid (PubChem CID 122070083) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid
PubChem CID122070083
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)CCc1scnc1C)C(=O)O
InChIInChI=1S/C11H18N2O4S2/c1-3-4-9(11(14)15)13-19(16,17)6-5-10-8(2)12-7-18-10/h7,9,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyDBSLLYIDIBCGIB-UHFFFAOYSA-N
XLogP1.17
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]butanoic acid
CID 122069093
2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 62071360
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
CID 60865090
(2S)-3-hydroxy-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 63283721
2-[2-(3-chlorophenyl)ethylsulfonylamino]pentanoic acid
CID 120968688
(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid
CID 104934822
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid
CID 63280700
(2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid
CID 107564884
benzene;2-(methanesulfonamido)pentanoic acid
CID 68896483
2-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]butanoic acid
CID 62069953

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid (CID 122070083) is 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)CCc1scnc1C)C(=O)O.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid?
The InChIKey is DBSLLYIDIBCGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-3-4-9(11(14)15)13-19(16,17)6-5-10-8(2)12-7-18-10/h7,9,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid?
2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid has a molecular weight of 306.41 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]pentanoic acid is sourced from PubChem (CID 122070083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).