2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid

C10H15NO6S2 — CID 114155512

IUPAC2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCOCC(CO)NS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C10H15NO6S2/c1-17-6-7(5-12)11-19(15,16)10-3-2-8(18-10)4-9(13)14/h2-3,7,11-12H,4-6H2,1H3,(H,13,14)
InChIKeyJRBDBMNDMCDTML-UHFFFAOYSA-N
MW309.37 g/mol
LogP-0.34
Rot. Bonds8

About 2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 114155512) has the molecular formula C10H15NO6S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID114155512
Molecular FormulaC10H15NO6S2
Molecular Weight309.37 g/mol
Exact Mass309.03
IUPAC Name2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCOCC(CO)NS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C10H15NO6S2/c1-17-6-7(5-12)11-19(15,16)10-3-2-8(18-10)4-9(13)14/h2-3,7,11-12H,4-6H2,1H3,(H,13,14)
InChIKeyJRBDBMNDMCDTML-UHFFFAOYSA-N
XLogP-0.34
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 113495561
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
2-[5-(1-phenylethylsulfamoyl)thiophen-2-yl]acetic acid
CID 43079020
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021
2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 62844503
N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106068483
2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 113467124
2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185797
2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 106359332
N-(1-methoxybutan-2-yl)-2-(5-sulfamoylthiophen-2-yl)acetamide
CID 64689300
2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-methoxypentanoic acid
CID 81077958

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid (CID 114155512) is 2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid is COCC(CO)NS(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is JRBDBMNDMCDTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6S2/c1-17-6-7(5-12)11-19(15,16)10-3-2-8(18-10)4-9(13)14/h2-3,7,11-12H,4-6H2,1H3,(H,13,14).
What are the key properties of 2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 309.37 g/mol, XLogP of -0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 114155512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).