2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid

C12H17NO5S2 — CID 107216240

IUPAC2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)s1
InChIInChI=1S/C12H17NO5S2/c14-10-4-2-1-3-9(10)13-20(17,18)12-6-5-8(19-12)7-11(15)16/h5-6,9-10,13-14H,1-4,7H2,(H,15,16)/t9-,10-/m0/s1
InChIKeyVGZCJGSFGDHWBF-UWVGGRQHSA-N
MW319.40 g/mol
LogP0.96
Rot. Bonds5

About 2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 107216240) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID107216240
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)s1
InChIInChI=1S/C12H17NO5S2/c14-10-4-2-1-3-9(10)13-20(17,18)12-6-5-8(19-12)7-11(15)16/h5-6,9-10,13-14H,1-4,7H2,(H,15,16)/t9-,10-/m0/s1
InChIKeyVGZCJGSFGDHWBF-UWVGGRQHSA-N
XLogP0.96
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 106359332
2-[5-[(3-methylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 113467124
2-[5-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 114628923
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-hydroxycyclopentyl)methylsulfamoyl]thiophen-2-yl]acetic acid
CID 106120467
2-[5-[cyclopentyl(methyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43213263
5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001276
2-[5-(oxan-3-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
CID 61020827
5-bromo-4-chloro-N-(2-hydroxycyclohexyl)thiophene-2-sulfonamide
CID 80578058
N-[2-(bromomethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
CID 106367504
2-[(5-ethylthiophen-2-yl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978334

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid (CID 107216240) is 2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)s1.
What is the InChIKey of 2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is VGZCJGSFGDHWBF-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H17NO5S2/c14-10-4-2-1-3-9(10)13-20(17,18)12-6-5-8(19-12)7-11(15)16/h5-6,9-10,13-14H,1-4,7H2,(H,15,16)/t9-,10-/m0/s1.
What are the key properties of 2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(1S,2S)-2-hydroxycyclohexyl]sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 107216240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).