2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid

C12H17NO5S2 — CID 61020827

IUPAC2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCC2CCCOC2)s1
InChIInChI=1S/C12H17NO5S2/c14-11(15)6-10-3-4-12(19-10)20(16,17)13-7-9-2-1-5-18-8-9/h3-4,9,13H,1-2,5-8H2,(H,14,15)
InChIKeyCKWGIGVFLFNYCL-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.08
Rot. Bonds6

About 2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid

2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid (PubChem CID 61020827) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
PubChem CID61020827
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCC2CCCOC2)s1
InChIInChI=1S/C12H17NO5S2/c14-11(15)6-10-3-4-12(19-10)20(16,17)13-7-9-2-1-5-18-8-9/h3-4,9,13H,1-2,5-8H2,(H,14,15)
InChIKeyCKWGIGVFLFNYCL-UHFFFAOYSA-N
XLogP1.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid
CID 106120467
2-[5-[methyl(oxan-3-ylmethyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 63713763
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
4-[[(3S)-oxan-3-yl]methylsulfamoyl]benzoic acid
CID 51892056
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003
4-acetyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320408
2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 107216240
2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 61067934
5-methyl-4-(oxan-3-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804859
2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 60926141
5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 114135005
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253

Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid (CID 61020827) is 2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)NCC2CCCOC2)s1.
What is the InChIKey of 2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid?
The InChIKey is CKWGIGVFLFNYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c14-11(15)6-10-3-4-12(19-10)20(16,17)13-7-9-2-1-5-18-8-9/h3-4,9,13H,1-2,5-8H2,(H,14,15).
What are the key properties of 2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid?
2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 61020827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).