N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide

C8H17NO3S — CID 21060291

IUPACN-(2,2-dimethylpropyl)-2-methylsulfonylacetamide
SMILESCC(C)(C)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-8(2,3)6-9-7(10)5-13(4,11)12/h5-6H2,1-4H3,(H,9,10)
InChIKeyLVPXBWBITVADCT-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.19
Rot. Bonds3

About N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide

N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide (PubChem CID 21060291) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-methylsulfonylacetamide
PubChem CID21060291
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(2,2-dimethylpropyl)-2-methylsulfonylacetamide
SMILESCC(C)(C)CNC(=O)CS(C)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-8(2,3)6-9-7(10)5-13(4,11)12/h5-6H2,1-4H3,(H,9,10)
InChIKeyLVPXBWBITVADCT-UHFFFAOYSA-N
XLogP0.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide (CID 21060291) is N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide is CC(C)(C)CNC(=O)CS(C)(=O)=O.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide?
The InChIKey is LVPXBWBITVADCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2,3)6-9-7(10)5-13(4,11)12/h5-6H2,1-4H3,(H,9,10).
What are the key properties of N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide?
N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide has a molecular weight of 207.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 21060291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).