N-(2-hydroxyethyl)-N-methylethanesulfonamide

C5H13NO3S — CID 18184242

IUPACN-(2-hydroxyethyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCO
InChIInChI=1S/C5H13NO3S/c1-3-10(8,9)6(2)4-5-7/h7H,3-5H2,1-2H3
InChIKeyLHBKQGPDKDUMFE-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.74
Rot. Bonds4

About N-(2-hydroxyethyl)-N-methylethanesulfonamide

N-(2-hydroxyethyl)-N-methylethanesulfonamide (PubChem CID 18184242) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methylethanesulfonamide
PubChem CID18184242
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC NameN-(2-hydroxyethyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)CCO
InChIInChI=1S/C5H13NO3S/c1-3-10(8,9)6(2)4-5-7/h7H,3-5H2,1-2H3
InChIKeyLHBKQGPDKDUMFE-UHFFFAOYSA-N
XLogP-0.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methylethanesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methylethanesulfonamide (CID 18184242) is N-(2-hydroxyethyl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methylethanesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-methylethanesulfonamide?
The InChIKey is LHBKQGPDKDUMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-3-10(8,9)6(2)4-5-7/h7H,3-5H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methylethanesulfonamide?
N-(2-hydroxyethyl)-N-methylethanesulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methylethanesulfonamide is sourced from PubChem (CID 18184242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).