N-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide

C9H19NO4S — CID 61343713

IUPACN-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide
SMILESCCCCN(CCO)C(=O)CS(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-3-4-5-10(6-7-11)9(12)8-15(2,13)14/h11H,3-8H2,1-2H3
InChIKeyZJGKEDGQBUODLJ-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.35
Rot. Bonds7

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

N-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide (PubChem CID 61343713) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide
PubChem CID61343713
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide
SMILESCCCCN(CCO)C(=O)CS(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-3-4-5-10(6-7-11)9(12)8-15(2,13)14/h11H,3-8H2,1-2H3
InChIKeyZJGKEDGQBUODLJ-UHFFFAOYSA-N
XLogP-0.35
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide (CID 61343713) is N-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide is CCCCN(CCO)C(=O)CS(C)(=O)=O.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide?
The InChIKey is ZJGKEDGQBUODLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-3-4-5-10(6-7-11)9(12)8-15(2,13)14/h11H,3-8H2,1-2H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide?
N-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide has a molecular weight of 237.32 g/mol, XLogP of -0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 61343713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).