N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide

C9H19NO4S — CID 65112285

IUPACN-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide
SMILESCCC(O)(CC)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-4-9(12,5-2)7-10-8(11)6-15(3,13)14/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyRWJUHJRCJCCVGM-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.30
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide

N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide (PubChem CID 65112285) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide
PubChem CID65112285
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide
SMILESCCC(O)(CC)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-4-9(12,5-2)7-10-8(11)6-15(3,13)14/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyRWJUHJRCJCCVGM-UHFFFAOYSA-N
XLogP-0.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide (CID 65112285) is N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide is CCC(O)(CC)CNC(=O)CS(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide?
The InChIKey is RWJUHJRCJCCVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-9(12,5-2)7-10-8(11)6-15(3,13)14/h12H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide?
N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide has a molecular weight of 237.32 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 65112285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).