N-(4-hydroxyoxolan-3-yl)ethanesulfonamide

C6H13NO4S — CID 130686140

IUPACN-(4-hydroxyoxolan-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1COCC1O
InChIInChI=1S/C6H13NO4S/c1-2-12(9,10)7-5-3-11-4-6(5)8/h5-8H,2-4H2,1H3
InChIKeyAUFGMYCAFWZBMW-UHFFFAOYSA-N
MW195.24 g/mol
LogP-1.31
Rot. Bonds3

About N-(4-hydroxyoxolan-3-yl)ethanesulfonamide

N-(4-hydroxyoxolan-3-yl)ethanesulfonamide (PubChem CID 130686140) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(4-hydroxyoxolan-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyoxolan-3-yl)ethanesulfonamide
PubChem CID130686140
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC NameN-(4-hydroxyoxolan-3-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1COCC1O
InChIInChI=1S/C6H13NO4S/c1-2-12(9,10)7-5-3-11-4-6(5)8/h5-8H,2-4H2,1H3
InChIKeyAUFGMYCAFWZBMW-UHFFFAOYSA-N
XLogP-1.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyoxolan-3-yl)ethanesulfonamide?
The IUPAC name of N-(4-hydroxyoxolan-3-yl)ethanesulfonamide (CID 130686140) is N-(4-hydroxyoxolan-3-yl)ethanesulfonamide.
What is the SMILES notation for N-(4-hydroxyoxolan-3-yl)ethanesulfonamide?
The canonical SMILES for N-(4-hydroxyoxolan-3-yl)ethanesulfonamide is CCS(=O)(=O)NC1COCC1O.
What is the InChIKey of N-(4-hydroxyoxolan-3-yl)ethanesulfonamide?
The InChIKey is AUFGMYCAFWZBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-2-12(9,10)7-5-3-11-4-6(5)8/h5-8H,2-4H2,1H3.
What are the key properties of N-(4-hydroxyoxolan-3-yl)ethanesulfonamide?
N-(4-hydroxyoxolan-3-yl)ethanesulfonamide has a molecular weight of 195.24 g/mol, XLogP of -1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyoxolan-3-yl)ethanesulfonamide is sourced from PubChem (CID 130686140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).