2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid

C12H17NO5S2 — CID 106359332

IUPAC2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NC2CCCC2CO)s1
InChIInChI=1S/C12H17NO5S2/c14-7-8-2-1-3-10(8)13-20(17,18)12-5-4-9(19-12)6-11(15)16/h4-5,8,10,13-14H,1-3,6-7H2,(H,15,16)
InChIKeyNJJFXLBBCFGNIX-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.81
Rot. Bonds6

About 2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 106359332) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID106359332
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NC2CCCC2CO)s1
InChIInChI=1S/C12H17NO5S2/c14-7-8-2-1-3-10(8)13-20(17,18)12-5-4-9(19-12)6-11(15)16/h4-5,8,10,13-14H,1-3,6-7H2,(H,15,16)
InChIKeyNJJFXLBBCFGNIX-UHFFFAOYSA-N
XLogP0.81
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 107216240
N-[2-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 113318676
5-cyano-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide
CID 114178763
N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 106367504
5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 106359339
2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 113467124
2-[5-[(6-oxopiperidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63661363
2-[5-[(5-oxopyrrolidin-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 106185258
2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114628923
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 113495561
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 106358785

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid (CID 106359332) is 2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)NC2CCCC2CO)s1.
What is the InChIKey of 2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is NJJFXLBBCFGNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c14-7-8-2-1-3-10(8)13-20(17,18)12-5-4-9(19-12)6-11(15)16/h4-5,8,10,13-14H,1-3,6-7H2,(H,15,16).
What are the key properties of 2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 106359332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).