N-(2-methylpropyl)-2-methylsulfonylacetamide

C7H15NO3S — CID 20735603

IUPACN-(2-methylpropyl)-2-methylsulfonylacetamide
SMILESCC(C)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-6(2)4-8-7(9)5-12(3,10)11/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyYWXAVIUWDDLDMI-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.20
Rot. Bonds4

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

N-(2-methylpropyl)-2-methylsulfonylacetamide (PubChem CID 20735603) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-methylsulfonylacetamide
PubChem CID20735603
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-(2-methylpropyl)-2-methylsulfonylacetamide
SMILESCC(C)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-6(2)4-8-7(9)5-12(3,10)11/h6H,4-5H2,1-3H3,(H,8,9)
InChIKeyYWXAVIUWDDLDMI-UHFFFAOYSA-N
XLogP-0.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(2-methylpropyl)-2-methylsulfonylacetamide (CID 20735603) is N-(2-methylpropyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(2-methylpropyl)-2-methylsulfonylacetamide is CC(C)CNC(=O)CS(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)-2-methylsulfonylacetamide?
The InChIKey is YWXAVIUWDDLDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6(2)4-8-7(9)5-12(3,10)11/h6H,4-5H2,1-3H3,(H,8,9).
What are the key properties of N-(2-methylpropyl)-2-methylsulfonylacetamide?
N-(2-methylpropyl)-2-methylsulfonylacetamide has a molecular weight of 193.27 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 20735603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).