4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid

C9H14N2O4S2 — CID 55013682

IUPAC4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid
SMILESCN(Cc1cscn1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H14N2O4S2/c1-11(5-8-6-16-7-10-8)17(14,15)4-2-3-9(12)13/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyOJJYOUMHURNGLL-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.77
Rot. Bonds7

About 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid

4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid (PubChem CID 55013682) has the molecular formula C9H14N2O4S2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid
PubChem CID55013682
Molecular FormulaC9H14N2O4S2
Molecular Weight278.35 g/mol
Exact Mass278.04
IUPAC Name4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid
SMILESCN(Cc1cscn1)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C9H14N2O4S2/c1-11(5-8-6-16-7-10-8)17(14,15)4-2-3-9(12)13/h6-7H,2-5H2,1H3,(H,12,13)
InChIKeyOJJYOUMHURNGLL-UHFFFAOYSA-N
XLogP0.77
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid
CID 55261145
5-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 55011839
N-methyl-2-piperazin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
CID 55012319
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 55011798
4-[(4-chlorophenyl)methyl-methylsulfamoyl]butanoic acid
CID 43362117
4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid
CID 54875156
2-[methyl-[3-(1,3-thiazol-4-yl)propanoyl]amino]acetic acid
CID 115729778
4-[methyl(2-pyridin-2-ylethyl)sulfamoyl]butanoic acid
CID 28774366
4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid
CID 43526884
2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55011796
5-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107909892

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid?
The IUPAC name of 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid (CID 55013682) is 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid?
The canonical SMILES for 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid is CN(Cc1cscn1)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid?
The InChIKey is OJJYOUMHURNGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S2/c1-11(5-8-6-16-7-10-8)17(14,15)4-2-3-9(12)13/h6-7H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid?
4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid is sourced from PubChem (CID 55013682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).