2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide

C9H15NO3S2 — CID 79578342

IUPAC2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)CCO
InChIInChI=1S/C9H15NO3S2/c1-8(7-9-3-2-5-14-9)10-15(12,13)6-4-11/h2-3,5,8,10-11H,4,6-7H2,1H3
InChIKeyJJEUQVUBERIKTF-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.59
Rot. Bonds6

About 2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide

2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide (PubChem CID 79578342) has the molecular formula C9H15NO3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide
PubChem CID79578342
Molecular FormulaC9H15NO3S2
Molecular Weight249.36 g/mol
Exact Mass249.05
IUPAC Name2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)CCO
InChIInChI=1S/C9H15NO3S2/c1-8(7-9-3-2-5-14-9)10-15(12,13)6-4-11/h2-3,5,8,10-11H,4,6-7H2,1H3
InChIKeyJJEUQVUBERIKTF-UHFFFAOYSA-N
XLogP0.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide 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

4-(cyclopropylamino)-N-(1-thiophen-2-ylpropan-2-yl)butane-1-sulfonamide
CID 106004399
2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103
2-(1-thiophen-2-ylpropan-2-ylamino)ethanesulfonamide
CID 114385022
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291367
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
CID 63292300
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide
CID 114135134
3-bromo-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 82110960
(2S)-3-hydroxy-2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 63292410
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912
3-methyl-5-(1-thiophen-2-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43708771

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide (CID 79578342) is 2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide is CC(Cc1cccs1)NS(=O)(=O)CCO.
What is the InChIKey of 2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide?
The InChIKey is JJEUQVUBERIKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S2/c1-8(7-9-3-2-5-14-9)10-15(12,13)6-4-11/h2-3,5,8,10-11H,4,6-7H2,1H3.
What are the key properties of 2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide?
2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide has a molecular weight of 249.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide is sourced from PubChem (CID 79578342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).