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

C7H15NO4S — CID 65110399

IUPACN-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide
SMILESCC(C)(O)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-7(2,10)5-8-6(9)4-13(3,11)12/h10H,4-5H2,1-3H3,(H,8,9)
InChIKeyCMPXSJKQEBABOL-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.08
Rot. Bonds4

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

N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide (PubChem CID 65110399) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide
PubChem CID65110399
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide
SMILESCC(C)(O)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C7H15NO4S/c1-7(2,10)5-8-6(9)4-13(3,11)12/h10H,4-5H2,1-3H3,(H,8,9)
InChIKeyCMPXSJKQEBABOL-UHFFFAOYSA-N
XLogP-1.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide (CID 65110399) is N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide is CC(C)(O)CNC(=O)CS(C)(=O)=O.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide?
The InChIKey is CMPXSJKQEBABOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(2,10)5-8-6(9)4-13(3,11)12/h10H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide?
N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide has a molecular weight of 209.27 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 65110399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).