2-amino-N-(2-hydroxyethyl)ethanesulfonamide

C4H12N2O3S — CID 87239494

IUPAC2-amino-N-(2-hydroxyethyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCCO
InChIInChI=1S/C4H12N2O3S/c5-1-4-10(8,9)6-2-3-7/h6-7H,1-5H2
InChIKeyUTWBZLLTKCAPON-UHFFFAOYSA-N
MW168.22 g/mol
LogP-2.14
Rot. Bonds5

About 2-amino-N-(2-hydroxyethyl)ethanesulfonamide

2-amino-N-(2-hydroxyethyl)ethanesulfonamide (PubChem CID 87239494) has the molecular formula C4H12N2O3S and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)ethanesulfonamide
PubChem CID87239494
Molecular FormulaC4H12N2O3S
Molecular Weight168.22 g/mol
Exact Mass168.06
IUPAC Name2-amino-N-(2-hydroxyethyl)ethanesulfonamide
SMILESNCCS(=O)(=O)NCCO
InChIInChI=1S/C4H12N2O3S/c5-1-4-10(8,9)6-2-3-7/h6-7H,1-5H2
InChIKeyUTWBZLLTKCAPON-UHFFFAOYSA-N
XLogP-2.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)ethanesulfonamide (CID 87239494) is 2-amino-N-(2-hydroxyethyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)ethanesulfonamide is NCCS(=O)(=O)NCCO.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)ethanesulfonamide?
The InChIKey is UTWBZLLTKCAPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3S/c5-1-4-10(8,9)6-2-3-7/h6-7H,1-5H2.
What are the key properties of 2-amino-N-(2-hydroxyethyl)ethanesulfonamide?
2-amino-N-(2-hydroxyethyl)ethanesulfonamide has a molecular weight of 168.22 g/mol, XLogP of -2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)ethanesulfonamide is sourced from PubChem (CID 87239494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).