N-(2-hydroxyethyl)-2-methylsulfonylacetamide

C5H11NO4S — CID 61344578

IUPACN-(2-hydroxyethyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NCCO
InChIInChI=1S/C5H11NO4S/c1-11(9,10)4-5(8)6-2-3-7/h7H,2-4H2,1H3,(H,6,8)
InChIKeyQEGXHVUYPFEXSK-UHFFFAOYSA-N
MW181.21 g/mol
LogP-1.86
Rot. Bonds4

About N-(2-hydroxyethyl)-2-methylsulfonylacetamide

N-(2-hydroxyethyl)-2-methylsulfonylacetamide (PubChem CID 61344578) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methylsulfonylacetamide
PubChem CID61344578
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC NameN-(2-hydroxyethyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NCCO
InChIInChI=1S/C5H11NO4S/c1-11(9,10)4-5(8)6-2-3-7/h7H,2-4H2,1H3,(H,6,8)
InChIKeyQEGXHVUYPFEXSK-UHFFFAOYSA-N
XLogP-1.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methylthioacetylaminoethanol
CID 155653
2-(2-Hydroxyacetamido)ethane-1-sulfonic acid
CID 71337829
2-decylsulfonyl-N-(2-hydroxyethyl)acetamide
CID 508459
2-Acetamido-2-hydroxyethanesulfonic acid
CID 58995641
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103723214
2-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726145
N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylpropanamide
CID 103770024
N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfonylacetamide
CID 103770272
N-(1,1-difluoro-3-hydroxy-3-methylsulfonylpropan-2-yl)acetamide
CID 174630018
Potassium 3-acetamido-2-hydroxypropane-1-sulfonate
CID 20769677
3-Acetamido-2-hydroxypropane-1-sulfonic acid
CID 20769678
2-(2-Methylsulfonylethylamino)ethanol
CID 24756177

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methylsulfonylacetamide (CID 61344578) is N-(2-hydroxyethyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-methylsulfonylacetamide?
The InChIKey is QEGXHVUYPFEXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-11(9,10)4-5(8)6-2-3-7/h7H,2-4H2,1H3,(H,6,8).
What are the key properties of N-(2-hydroxyethyl)-2-methylsulfonylacetamide?
N-(2-hydroxyethyl)-2-methylsulfonylacetamide has a molecular weight of 181.21 g/mol, XLogP of -1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 61344578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).