2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid

C12H17NO5S2 — CID 106120467

IUPAC2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCC2CCC(O)C2)s1
InChIInChI=1S/C12H17NO5S2/c14-9-2-1-8(5-9)7-13-20(17,18)12-4-3-10(19-12)6-11(15)16/h3-4,8-9,13-14H,1-2,5-7H2,(H,15,16)
InChIKeyBLXCRGNRMZKCHC-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.81
Rot. Bonds6

About 2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 106120467) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid
PubChem CID106120467
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCC2CCC(O)C2)s1
InChIInChI=1S/C12H17NO5S2/c14-9-2-1-8(5-9)7-13-20(17,18)12-4-3-10(19-12)6-11(15)16/h3-4,8-9,13-14H,1-2,5-7H2,(H,15,16)
InChIKeyBLXCRGNRMZKCHC-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-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
CID 61020827
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554
2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 107216240
2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 113467124
3-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106120509
2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114628923
N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 66007182
2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
CID 107847683
2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
4-chloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 54351747
2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 61067934
2-[5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 43401345

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid (CID 106120467) is 2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)NCC2CCC(O)C2)s1.
What is the InChIKey of 2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is BLXCRGNRMZKCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S2/c14-9-2-1-8(5-9)7-13-20(17,18)12-4-3-10(19-12)6-11(15)16/h3-4,8-9,13-14H,1-2,5-7H2,(H,15,16).
What are the key properties of 2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(3-hydroxycyclopentyl)methylsulfamoyl]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-[(3-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 106120467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).