2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide

C8H13NO3S2 — CID 79589134

IUPAC2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide
SMILESO=S(=O)(CCO)NCCc1ccsc1
InChIInChI=1S/C8H13NO3S2/c10-4-6-14(11,12)9-3-1-8-2-5-13-7-8/h2,5,7,9-10H,1,3-4,6H2
InChIKeyYPTNVFISSPYSHG-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.20
Rot. Bonds6

About 2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide

2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide (PubChem CID 79589134) has the molecular formula C8H13NO3S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide
PubChem CID79589134
Molecular FormulaC8H13NO3S2
Molecular Weight235.33 g/mol
Exact Mass235.03
IUPAC Name2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide
SMILESO=S(=O)(CCO)NCCc1ccsc1
InChIInChI=1S/C8H13NO3S2/c10-4-6-14(11,12)9-3-1-8-2-5-13-7-8/h2,5,7,9-10H,1,3-4,6H2
InChIKeyYPTNVFISSPYSHG-UHFFFAOYSA-N
XLogP0.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propylamino)-N-(2-thiophen-3-ylethyl)ethanesulfonamide
CID 114140725
3-(propan-2-ylamino)-N-(2-thiophen-3-ylethyl)propane-1-sulfonamide
CID 54972108
4-(2-thiophen-3-ylethylsulfamoylmethyl)benzenecarbothioamide
CID 61477660
1-[3-(aminomethyl)phenyl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 106049833
1-[(3S)-oxolan-3-yl]-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 164642999
1-piperidin-3-yl-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 54972057
5-(2-thiophen-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 61473467
4-amino-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 54953251
2-(hydroxymethyl)-2-(2-thiophen-3-ylethylamino)propane-1,3-diol
CID 107852268
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
4-thiophen-3-ylbutan-1-ol
CID 54222621
N-(2-thiophen-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 47372092

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide?
The IUPAC name of 2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide (CID 79589134) is 2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide is O=S(=O)(CCO)NCCc1ccsc1.
What is the InChIKey of 2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide?
The InChIKey is YPTNVFISSPYSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S2/c10-4-6-14(11,12)9-3-1-8-2-5-13-7-8/h2,5,7,9-10H,1,3-4,6H2.
What are the key properties of 2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide?
2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide has a molecular weight of 235.33 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-thiophen-3-ylethyl)ethanesulfonamide is sourced from PubChem (CID 79589134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).