N-(2-hydroxyethyl)-3-methylsulfonylpropanamide

C6H13NO4S — CID 43428051

IUPACN-(2-hydroxyethyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCCO
InChIInChI=1S/C6H13NO4S/c1-12(10,11)5-2-6(9)7-3-4-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyQACLKKQHGNPFNX-UHFFFAOYSA-N
MW195.24 g/mol
LogP-1.47
Rot. Bonds5

About N-(2-hydroxyethyl)-3-methylsulfonylpropanamide

N-(2-hydroxyethyl)-3-methylsulfonylpropanamide (PubChem CID 43428051) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methylsulfonylpropanamide
PubChem CID43428051
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC NameN-(2-hydroxyethyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NCCO
InChIInChI=1S/C6H13NO4S/c1-12(10,11)5-2-6(9)7-3-4-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyQACLKKQHGNPFNX-UHFFFAOYSA-N
XLogP-1.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methylsulfonylpropanamide (CID 43428051) is N-(2-hydroxyethyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-methylsulfonylpropanamide?
The InChIKey is QACLKKQHGNPFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-12(10,11)5-2-6(9)7-3-4-8/h8H,2-5H2,1H3,(H,7,9).
What are the key properties of N-(2-hydroxyethyl)-3-methylsulfonylpropanamide?
N-(2-hydroxyethyl)-3-methylsulfonylpropanamide has a molecular weight of 195.24 g/mol, XLogP of -1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 43428051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).