2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide

C4H11NO5S — CID 87784993

IUPAC2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide
SMILESO=S(=O)(CCO)N(CO)CO
InChIInChI=1S/C4H11NO5S/c6-1-2-11(9,10)5(3-7)4-8/h6-8H,1-4H2
InChIKeyKJGHYDUYNPEVMN-UHFFFAOYSA-N
MW185.20 g/mol
LogP-2.49
Rot. Bonds5

About 2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide

2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide (PubChem CID 87784993) has the molecular formula C4H11NO5S and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide
PubChem CID87784993
Molecular FormulaC4H11NO5S
Molecular Weight185.20 g/mol
Exact Mass185.04
IUPAC Name2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide
SMILESO=S(=O)(CCO)N(CO)CO
InChIInChI=1S/C4H11NO5S/c6-1-2-11(9,10)5(3-7)4-8/h6-8H,1-4H2
InChIKeyKJGHYDUYNPEVMN-UHFFFAOYSA-N
XLogP-2.49
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 5-2.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide?
The IUPAC name of 2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide (CID 87784993) is 2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide?
The canonical SMILES for 2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide is O=S(=O)(CCO)N(CO)CO.
What is the InChIKey of 2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide?
The InChIKey is KJGHYDUYNPEVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO5S/c6-1-2-11(9,10)5(3-7)4-8/h6-8H,1-4H2.
What are the key properties of 2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide?
2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide has a molecular weight of 185.20 g/mol, XLogP of -2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-bis(hydroxymethyl)ethanesulfonamide is sourced from PubChem (CID 87784993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).