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

C11H18N2O4S2 — CID 103414340

IUPAC4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
SMILESCc1ncc(S(=O)(=O)NCC(CC(C)C)C(=O)O)s1
InChIInChI=1S/C11H18N2O4S2/c1-7(2)4-9(11(14)15)5-13-19(16,17)10-6-12-8(3)18-10/h6-7,9,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyBYUQTPBBRWYQHL-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.48
Rot. Bonds7

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

4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid (PubChem CID 103414340) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
PubChem CID103414340
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid
SMILESCc1ncc(S(=O)(=O)NCC(CC(C)C)C(=O)O)s1
InChIInChI=1S/C11H18N2O4S2/c1-7(2)4-9(11(14)15)5-13-19(16,17)10-6-12-8(3)18-10/h6-7,9,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyBYUQTPBBRWYQHL-UHFFFAOYSA-N
XLogP1.48
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromopropyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416040
N-(2,2-dimethoxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414719
N-(2-bromo-3-methylbutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103416146
N-(2-hydroxybutyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414895
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]propanoic acid
CID 103862594
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120664525
N-[2-(2-hydroxyethyl)pentyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847971
4-methyl-2-[[(5-nitrothiophen-2-yl)sulfonylamino]methyl]pentanoic acid
CID 120660458
4-methyl-2-[[(1-propan-2-ylpyrazol-4-yl)sulfonylamino]methyl]pentanoic acid
CID 120660544
N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847901
N-(2-bromo-3-ethylpentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 114168907
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103847995

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid (CID 103414340) is 4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid is Cc1ncc(S(=O)(=O)NCC(CC(C)C)C(=O)O)s1.
What is the InChIKey of 4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid?
The InChIKey is BYUQTPBBRWYQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-7(2)4-9(11(14)15)5-13-19(16,17)10-6-12-8(3)18-10/h6-7,9,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid?
4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid has a molecular weight of 306.41 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]methyl]pentanoic acid is sourced from PubChem (CID 103414340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).