N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide

C7H15NO4S — CID 65031923

IUPACN-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide
SMILESCC(CO)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-6(4-9)3-8-7(10)5-13(2,11)12/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyYBKHINPZDSXESI-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.22
Rot. Bonds5

About N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide

N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide (PubChem CID 65031923) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide
PubChem CID65031923
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide
SMILESCC(CO)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-6(4-9)3-8-7(10)5-13(2,11)12/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyYBKHINPZDSXESI-UHFFFAOYSA-N
XLogP-1.22
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide (CID 65031923) is N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide is CC(CO)CNC(=O)CS(C)(=O)=O.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide?
The InChIKey is YBKHINPZDSXESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-6(4-9)3-8-7(10)5-13(2,11)12/h6,9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide?
N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide has a molecular weight of 209.27 g/mol, XLogP of -1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 65031923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).